Book contents
References
Published online by Cambridge University Press: 05 June 2016
Summary
A summary is not available for this content so a preview has been provided. Please use the Get access link above for information on how to access this content.
- Type
- Chapter
- Information
- Interacting ElectronsTheory and Computational Approaches, pp. 750 - 805Publisher: Cambridge University PressPrint publication year: 2016
References
[1] , Electronic Structure: Basic Theory and Methods, Cambridge University Press, Cambridge, 2004, reprinted 2005, 2008; Japanese translation, 2010, 2012.Google Scholar
[4] , , , and , Out of the Crystal Maze [Chapters for the History of Solid State Physics], Oxford University Press, New York, 1992.Google Scholar
[5] , “The wave mechanics of an atom with non-Coulombic central field: parts I, II, III,” Proc. Cambridge Phil. Soc. 24: 89, 111, 426, 1928.Google Scholar
[7] , “Sulla quantizzazione del gas perfetto monoatomico (On the quantization of the monoatomic ideal gas),” Rend. Lincei 3:145–149, 1926.Google Scholar
[8] , “Translation of E. Fermi, Rend. Lincei 3, 145–9 (1926) On the quantization of the monoatomic ideal gas,” arxiv cond-mat/9912229v1, 1999.
[10] , “Uber den Zusammenhang des Abschlusses der Elektronengruppen im Atom mit der Komplex Struktur der Spektren,” Z. Phys. 31:765, 1925.Google Scholar
[11] , “On the theory of quantum mechanics,” Proc. Roy. Soc. London Ser. A 112:661, 1926.Google Scholar
[12] , “Note on exchange phenomena in the Thomas–Fermi atom,” Proc. Cambridge Phil. Soc. 26:376–385, 1930.Google Scholar
[13] , “Self-consistent approximations in many-body systems,” Phys. Rev. 127:1391– 1401, 1962.Google Scholar
[14] , “The theory of a Fermi liquid [Soviet Phys. JETP 3, 920–925 (1957)],” Zh. Eksp. i Teor. Fiz. 30:1058–1064, 1956.Google Scholar
[15] , “Oscillations in a Fermi liquid [Soviet Phys. JETP 5, 101–108 (1957)],” Zh. Eksp. i Teor. Fiz. 32:59–66, 1957.Google Scholar
[16] , “On the theory of the Fermi liquid [Soviet Phys. JETP 8, 70–74 (1959)],” Zh. Eksp. i Teor. Fiz. 35:97–103, 1958.Google Scholar
[17] and , Bose–Einstein Condensation in Dilute Gases, Cambridge University Press, Cambridge, 2008.Google Scholar
[18] , “Theory of phase transformations I. Trans: Zh. Eksp. Teor. Fiz. 7, 19 (1937),” Phys. Z. Sowjet 11:26–47, 1937.Google Scholar
[19] , “Theory of phase transformations II. Trans: Zh. Eksp. Teor. Fiz. 7, 627 (1937),” Phys. Z. Sowjet 11:545–555, 1937.Google Scholar
[20] , Quantum Field Theory ofMany-Body Systems, Oxford University Press, Oxford, 2004.Google Scholar
[23] , “Theory of the work function. II. The surface double layer,” Phys. Rev. 49:653, 1936.Google Scholar
[24] , “Uber den Grundterm der Zweielektronenprobleme von H-, He, Li+, Be+ usw,” Z. Phys. 65:209, 1930.Google Scholar
[27] , “Space-time approach to non-relativistic quantum mechanics,” Rev. Mod. Phys. 20:367–387, 1948.Google Scholar
[28] , “Space-time approach to quantum electrodynamics,” Phys. Rev. 76:769– 789, 1949.Google Scholar
[30] and , “A collective description of electron interactions. I. Magnetic interactions,” Phys. Rev. 82:625–634, 1951; II. “Collective vs individual particle aspects of the interactions,” Phys. Rev. 85:338–353, 1952; III. “Coulomb interactions in a degenerate electron gas,” Phys. Rev. 92:609–625, 1953.Google Scholar
[31] , “On the properties of a gas of charged particles,” Kgl. Danske Videnskab. Selskab, Mat.-fys. Medd. 28:1–57, 1954.Google Scholar
[32] , “Description of collective motion in terms of many-body perturbation theory. II. The correlation energy of a free electron gas,” Proc. Roy. Soc. London, Ser. A 243:336–352, 1958.Google Scholar
[33] and , “Self-consistent field approach to the many-electron problem,” Phys. Rev. 115:786–790, 1959.Google Scholar
[34] and , “Correlation energy of an electron gas at high density,” Phys. Rev. 106:364–368, 1957.Google Scholar
[35] and , “Application of quantum field theory methods to the many body problem [translation: Soviet Phys. JETP 7, 96–104 (1958)],” Zh. Eksp. Teor. Fiz. 34:139–150, 1958.Google Scholar
[36] and , “Ground-state energy of a many-fermion system. II,” Phys. Rev. 118:1417–1427, 1960.Google Scholar
[37] , “Fermi surface and some simple equilibrium properties of a system of interacting fermions,” Phys. Rev. 119:1153–1163, 1960.Google Scholar
[38] , , and , Methods of Quantum Field Theory in Statistical Physics, Prentice-Hall, Englewood Cliffs, NJ, 1963.Google Scholar
[39] and , “Conservation laws and correlation functions,” Phys. Rev. 124:287–299, 1961.Google Scholar
[42] and , “Self-consistent equations including exchange and correlation effects,” Phys. Rev. 140:A1133–1138, 1965.Google Scholar
[43] , “New method for calculating the one-particle Green's function with application to the electron-gas problem,” Phys. Rev. 139:A796–823, 1965.Google Scholar
[46] , “Ueber die zuordnung von wellenfunktionen und eigenwerten zu den einzelnen elektronen eines atoms,” Physica 1:104–113, 1934.Google Scholar
[48] , , and , “Local density theory of metallic cohesion,” Phys. Rev. B 15:2854–2857, 1977.Google Scholar
[52] , J. Res. Nat. Bur. Stnd. A 64:1–4, 1960.
[53] , , , , and , “Unraveling the stability of polypeptide helices: Critical role of van derWaals interactions,” Phys. Rev. Lett. 106:118102, 2011.Google Scholar
[54] Ferromagnetic Materials, edited by , North Holland, Amsterdam, 1986.
[55] , , and , “Finite-temperature magnetism of transition metals: An ab initio dynamical mean-field theory,” Phys. Rev. Lett. 87:067205, 2001.Google Scholar
[56] , “Collective electron ferromagnetism. II. Energy and specific heat,” Roy. Soc. London, Proc. Ser. A 169:339–371, 1939.Google Scholar
[57] , Photoemission Spectroscopy: Principles and Applications, Springer-Verlag, Berlin, 2003.Google Scholar
[58] and , Photoemission in Solids I, Vol. 26 of Topics in Applied Physics, Springer-Verlag, Berlin, 1978.Google Scholar
[59] , , and , “Angle-resolved photoemission studies of the cuprate superconductors,” Rev. Mod. Phys. 75:473–541, 2003.Google Scholar
[60] , , , , and , “Angle-resolved photoemission studies of Ge(111)-c(2 x 8), Ge(111)-(1 x 1)H, Si(111)-(7 x 7), and Si(100)-(2 x 1),” Phys. Rev. B 32:2326–2333, 1985.Google Scholar
[61] and , “Inverse-photoemission study of Ge(100), Si(100), and GaAs(100): Bulk bands and surface states,” Phys. Rev. B 47:2130–2137, 1993.Google Scholar
[62] , , and , “Quasiparticle band-structure calculations for C, Si, Ge, GaAs, and SiC using gaussian-orbital basis sets,” Phys. Rev. B 48:17791–17805, 1993.Google Scholar
[63] , “Hartree–Fock band-structure calculations with the linear muffin-tin-orbital method: Application to C, Si, Ge, and alpha-Sn,” Phys. Rev. B 35:5496–5502, 1987.Google Scholar
[64] , , , and , “Dynamics of excited electrons in copper and ferromagnetic transition metals: Theory and experiment,” Phys. Rev. B 61:9427–9440, 2000.Google Scholar
[65] , , , , and , “Time-resolved investigation of coherently controlled electric currents at a metal surface,” Science 318:1287–1291, 2007.Google Scholar
[66] , , , , , and , “Time-resolved coherent photoelectron spectroscopy of quantized electronic states on metal surfaces,” Science 277:1480–1482, 1997.Google Scholar
[67] , , and , Photoemission in Solids II, Vol. 27 of Topics in Applied Physics, Springer-Verlag, Berlin, 1979, pp. 349–372.Google Scholar
[68] , , , , and , “Resonant inverse photoemission in cerium-based materials,” Phys. Rev. B 55:2056–2067, 1997.Google Scholar
[69] , , , and , “Large Fermi-level resonance in the electron-addition spectrum of CeRu2 and CeIr2,” Phys. Rev. B 28:5347–5349, 1983.Google Scholar
[70] and , “Optical constants of magnesium oxide and lithium fluoride in far ultraviolet,” J. Opt. Soc. Am. 57:835–836, 1967.Google Scholar
[71] and , “Electron–hole excitations in semiconductors and insulators,” Phys. Rev. Lett. 81:2312–2315, 1998.Google Scholar
[72] Epioptics: Linear and Nonlinear Optical Spectroscopy of Surfaces and Interfaces, ESPRIT Basic Research Series, edited by , , and , Springer-Verlag, Berlin, 2011.
[73] , Electron Dynamics by Inelastic X-Ray Scattering, Oxford Series on Synchrotron Radiation, Oxford University Press, Oxford, 2007.Google Scholar
[74] , in Handbook on Synchrotron Radiation, edited by and , Elsevier Science, Amsterdam, 1991, pp. 565–637.Google Scholar
[75] and , “Inelastic light scattering from correlated electrons,” Rev. Mod. Phys. 79:175–233, 2007.Google Scholar
[76] , “Electron energy-loss spectroscopy in the TEM,” Rep. Prog. Phys. 72:016502, 2009.Google Scholar
[77] , Electron Energy Loss Spectroscopy in the Electron Microscope, Springer-Verlag, New York, 2011.Google Scholar
[78] , , , , , , , and , “Nonresonant inelastic X-ray scattering and energy-resolvedWannier function investigation of d-d excitations in NiO and CoO,” Phys. Rev. Lett. 99:026401, 2007.Google Scholar
[79] , , , and , “Nonresonant inelastic X-ray scattering involving excitonic excitations: The examples of NiO and CoO,” Phys. Rev. Lett. 99:257401, 2007.Google Scholar
[80] , , and , “Quantum mirages formed by coherent projection of electronic structure,” Nature 403:512–513, 2000.Google Scholar
[81] , Introduction to the Electron Theory of Metals, Cambridge University Press, Cambridge, 2001.Google Scholar
[82] , , and , “The electrical resistance of gold, copper and lead at low temperatures,” Physica 1:1115–1124, 1934.Google Scholar
[83] , “Resistance minimum in dilute magnetic alloys,” Prog. Theor. Phys. 32:37–69, 1964.Google Scholar
[84] , “The renormalization group: Critical phenomena and the Kondo problem,” Rev. Mod. Phys. 47:773–840, 1975.Google Scholar
[86] , , , , and , “Kondo resonance of single Co atoms embedded in Cu(111),” Phys. Rev. B 69:201103, 2004.Google Scholar
[87] , , , , , , and , “Heavy-electron metals: New highly correlated states of matter,” Science 239:33–42, 1988.Google Scholar
[89] , in Handbook of Magnetism and Advanced Magnetic Materials, Wiley, New York, 2007.Google Scholar
[90] , , , , and , “Metal–insulator transitions in pure and doped V2O3,” Phys. Rev. B 7:1920–1931, 1973.Google Scholar
[92] , , and , “Mott transition in Cr-doped V2O3,” Phys. Rev. Lett. 23:1384–1387, 1969.Google Scholar
[93] , , , , , , , , , , and , “Photoemission study of (M = Cr, Ti),” Phys. Rev. B 74:165101, 2006.Google Scholar
[94] , , , , , , , , , , , , , , , , and , “Valence-band electronic structure of V2O3: Identification of V and O bands,” Phys. Rev. B 80:155115, 2009.Google Scholar
[95] , , , , , , , , and , “Spin and orbital occupation and phase transitions in V2O3,” Phys. Rev. B 61:11506–11509, 2000.Google Scholar
[96] , , , and , “Orbital occupation, local spin, and exchange interactions in V2O3,” Phys. Rev. Lett. 83:4136–4139, 1999.Google Scholar
[97] , , , and , “Energy gaps in hightransition- temperature cuprate superconductors,” Nat. Phys. 10:483–495, 2014.Google Scholar
[98] , , , and , “Phenomenology of the lowenergy spectral function in high-Tc superconductors,” Phys. Rev. B 57:R11093–11096, 1998.Google Scholar
[99] , , , , and , “Modeling the Fermi arc in underdoped cuprates,” Phys. Rev. B 76:174501, 2007.Google Scholar
[100] , , , , , , , , , , , , , , , , and , “Mutual experimental and theoretical validation of bulk photoemission spectra of Sr1-xCaxVO3,” Phys. Rev. Lett. 93:156402, 2004.Google Scholar
[101] , , , , , , , , , , , , , , , , and , “Prominent quasiparticle peak in the photoemission spectrum of the metallic phase of V2O3,” Phys. Rev. Lett. 90:186403, 2003.Google Scholar
[102] and , “Probing depth in photoemission and Auger-electron spectroscopy,” J. Electron Spectrosc. Relat. Phenom. 3:409–413, 1974.Google Scholar
[103] , “Attenuation lengths of low-energy electrons in solids,” Surface Sci. 44:29–46, 1974.Google Scholar
[104] , Chemistry in Two Dimensions: Surfaces, George Fisher Baker nonresident lectureship in chemistry at Cornell University, Cornell University Press, Ithaca, NY, 1981.Google Scholar
[105] , , and , “Ground state properties of the one-dimensional Coulomb gas using the lattice regularized diffusion Monte Carlo method,” Phys. Rev. B 74:245427, 2006.Google Scholar
[106] and , Quantum Theory of the Electron Liquid, Cambridge University Press, Cambridge, 2005.Google Scholar
[107] and , The Theory of Quantum Liquids, Vol. I (Advanced Book Classics, originally published by W. A. Benjamin, New York, 1966), Westview Press, Boulder, CO, 1999.Google Scholar
[108] and , “The ground state of the two-dimensional electron gas,” Phys. Rev. B 39:5005–5016, 1989.Google Scholar
[109] and , “Ground state of the electron gas by a stochastic method,” Phys. Rev. Lett. 45:566, 1980.Google Scholar
[110] , , and , “Spin polarization of the low density threedimensional electron gas,” Phys. Rev. E 66:036703:1–7, 2002.Google Scholar
[111] and , “Phases intermediate between a two-dimensional electron liquid and Wigner crystal,” Phys. Rev. B 70:155114, 2004.Google Scholar
[112] , , and D. M. Ceperley, “Magnetic ordering of the three dimensional Wigner crystal,” Phys. Rev. B 70:094413:1–6, 2004.Google Scholar
[113] , , and , “Exchange frequencies in the 2D Wigner crystal,” Phys. Rev. Lett. 86:870–873, 2001.Google Scholar
[115] , “The basis of the electron theory of metals, with special reference to the transition metals,” Proc. Phys. Soc. A 62:416–422, 1949.Google Scholar
[116] Proceedings of Washington Conference on Magnetism, Rev. Mod. Phys. 25, 1953.
[121] , Exchange Interactions among Itinerant Electrons, Academic Press, New York, 1966.Google Scholar
[122] , “Magnetic effects and the Hartree–Fock equation,” Phys. Rev. 82:538–541, 1951.Google Scholar
[123] , “Electron correlations in narrow energy bands,” Proc. Roy. Soc. London, Ser. A 276:238–257, 1963.Google Scholar
[124] , “Electron correlations in narrow energy bands. II. The degenerate band case,” Proc. Roy. Soc. London, Ser. A 277:237–259, 1964.Google Scholar
[125] , “Electron correlations in narrow energy bands. III. An improved solution,” Proc. Roy. Soc. London, Ser. A 281:401–419, 1964.Google Scholar
[126] , “Electron correlations in narrow energy bands. IV. The atomic representation,” Proc. Roy. Soc. London, Ser. A 285:542–560, 1965.Google Scholar
[127] , “Electron correlations in narrow energy bands. V. A perturbation expansion about the atomic limit,” Proc. Roy. Soc. London, Ser. A 296:82–99, 1967.Google Scholar
[128] , “Electron correlations in narrow energy bands. VI. The connexion with manybody perturbation theory,” Proc. Roy. Soc. London, Ser. A 296:100–112, 1967.Google Scholar
[129] , “Effect of correlation on the ferromagnetism of transition metals,” Phys. Rev. Lett. 10:159–162, 1963.Google Scholar
[130] , “Effect of correlation on the ferromagnetism of transition metals,” Phys. Rev. 134:A923–941, 1964.Google Scholar
[131] , “Correlation of electrons in a narrow s band,” Phys. Rev. 137:A1726– 1735, 1965.Google Scholar
[132] , “New approach to the theory of superexchange interactions,” Phys. Rev. 115:2–13, 1959.Google Scholar
[133] , “Electron correlation and ferromagnetism of transition metals,” Prog. Theor. Phys. 30:275–289, 1963.Google Scholar
[134] and , “Absence of Mott transition in an exact solution of the short-range, one-band model in one dimension,” Phys. Rev. Lett. 20:1445–1448, 1968.Google Scholar
[135] , “Zur Theorie der Metalle. Eigenwerte und Eigenfunktionen der linearen Atomkette,” Z. Phys. 71:205, 1931.Google Scholar
[136] and , “Ground-state correlations of quantum antiferromagnets: A Green-function Monte Carlo study.” Phys. Rev. B 41:4552–4569, 1990.Google Scholar
[137] and , “Wechselwirkung neutraler Atome und homopolare Bindung nach der Quantenmechanik,” Z. Phys. 44:455–472, 1927.Google Scholar
[138] and , “Application of Gutzwiller's variational method to the metal–insulator transition,” Phys. Rev. B 2:4302–4304, 1970.Google Scholar
[140] , , and , “The theory and properties of randomly disordered crystals and related physical systems,” Rev. Mod. Phys. 46:465–543, 1974.Google Scholar
[141] , “Coherent-potential model of substitutional disordered alloys,” Phys. Rev. 156:809–813, 1967.Google Scholar
[142] , , and , “Single-site approximations in the electronic theory of simple binary alloys,” Phys. Rev. 175:747–766, 1968.Google Scholar
[144] and , Principles of Condensed Matter Physics, Cambridge University Press, Cambridge, 1995.Google Scholar
[145] , The Many Body Problem (Advanced Book Classics, originally published in 1961), Addison-Wesley, Reading, MA, 1997.Google Scholar
[146] , The Kondo Problem to Heavy Fermions, Cambridge University Press, Cambridge, 1993.Google Scholar
[147] and , Theory of Interacting Fermi Systems (originally published in 1991), Wiley-VCH, Weinheim, 2004.Google Scholar
[148] , Theory of Interacting Fermi Systems (Advanced Book Classics, originally published in 1964), Addison-Wesley, Reading, MA, 1997.Google Scholar
[149] , Many-Particle Physics, 3rd Ed., Kluwer Academic/Plenum Publishers, New York, 2000.Google Scholar
[150] , “Normal 3He: An almost localized Fermi liquid,” Rev. Mod. Phys. 56:99–120, 1984.Google Scholar
[152] , “On the theory of a degenerate electron fluid [Soviet Phys. JETP 6, 387 and 985 (1958)],” Zh. Eksp. i Teor. Fiz. 33:495 and 1282, 1957.Google Scholar
[153] and , “Derivation of the Landau theory of Fermi liquids. I. Formal preliminaries,” Phys. Rev. 127:1423–1431, 1962.Google Scholar
[154] and , “Derivation of the Landau theory of Fermi liquids. II. Equilibrium properties and transport equation,” Phys. Rev. 127:1431–1440, 1962.Google Scholar
[156] and , Green's Functions for Solid State Physicists (Reprinted in Frontiers in Physics Series, No. 44), W. A. Benjamin, Reading, MA, 1974.Google Scholar
[157] and , “Relation between the Anderson and Kondo hamiltonians,” Phys. Rev. 149:491–492, 1966.Google Scholar
[158] and , “Exchange interaction in alloys with cerium impurities,” Phys. Rev. 185:847–853, 1969.Google Scholar
[159] and , “Electron spectroscopies for Ce compounds in the impurity model,” Phys. Rev. B 28:4315–4341, 1983.Google Scholar
[160] , “Perturbation expansion for the Anderson hamiltonian. II,” Prog. Th. Phys. 53:970–986, 1975.Google Scholar
[161] , “Some consequences of the Luttinger theorem: The Luttinger surfaces in non-Fermi liquids and Mott insulators,” Phys. Rev. B 68:085113, 2003.Google Scholar
[162] , “A ‘Fermi-liquid’ description of the Kondo problem at low temperatures,” J. Low Temp. Phys. 17:31–42, 1974.Google Scholar
[163] , “The distribution of electrons around impurities in monovalent metals,” Phil. Mag. 43:153–189, 1952.Google Scholar
[164] and , “Friedel sum rule for a system of interacting electrons,” Phys. Rev. 121:1090–1092, 1961.Google Scholar
[165] , “Friedel sum rule for Anderson's model of localized impurity states,” Phys. Rev. 150:516–518, 1966.Google Scholar
[166] , “Fermi-surface sum rule and its consequences for periodic Kondo and mixedvalence systems,” Phys. Rev. Lett. 48:362–365, 1982.Google Scholar
[167] and , “Self-consistent field, with exchange for beryllium,” Proc. Roy. Soc. London, Series A 150:9–33, 1935.Google Scholar
[168] , “Naherungsmethode zur Losung des quanten-mechanischen Mehrkorperprobleme,” Z. Phys. 61:126–148, 1930.Google Scholar
[169] and , Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory (Unabridged reprinting of 1989 version), Dover, Mineola, NY, 1996.Google Scholar
[170] and , Methods of Molecular Quantum Mechanics, 2nd Ed., Academic Press, New York, 1976.Google Scholar
[171] , “The molecular field hypothesis and ferromagnetism,” J. Phys. Radium 6:661, 1907.Google Scholar
[172] , “Statistical theory of superlattices,” Proc. Roy. Soc. London, Ser. A 150:552– 575, 1935.Google Scholar
[173] , “Statistical theory of superlattices with unequal concentrations of the components,” Proc. Roy. Soc. London, Ser. A 154:207–222, 1936.Google Scholar
[175] and , Density-Functional Theory of Atoms and Molecules, Oxford University Press, New York, 1989.Google Scholar
[176] Density Functional Theory: An Approach to the Quantum Many-Body Problem, edited by and , Springer-Verlag, Berlin, 1990.
[177] Density Functional Theory, edited by and , Plenum Press, New York, 1995.
[178] , “Thermodynamische Theorie der Kapillaritat unter Voraussetzung stetiger Dichteanderung,” Z. Phys. Chem. 13:657, 1894.Google Scholar
[179] and , “Free energy of a nonuniform system. I. Interfacial energy,” J. Chem. Phys 28:258, 1958.Google Scholar
[180] and , “Strong correlation in Kohn–Sham density functional theory,” Phys. Rev. Lett. 109:246402, 2012.Google Scholar
[183] , in Physics as Natural Philosophy, edited by and , MIT Press, Cambridge, MA, 1982, p. 111.Google Scholar
[184] , , and , “Density functional-approach to quantum-lattice systems,” J. Stat. Phys. 38:497–518, 1985.Google Scholar
[185] and , “Degeneracy in density functional theory: Topology in the v and n spaces,” Phys. Rev. Lett. 89:156401–156404, 2002.Google Scholar
[186] , “Density-functional exchange-energy approximation with correct asymptotic behavior,” Phys. Rev. A 38:3098–3100, 1988.Google Scholar
[187] , , and , “Development of the Colle–Salvetti correlation-energy formula into a functional of the electron density,” Phys. Rev. B 37:785–789, 1988.Google Scholar
[188] and , in Density Functional Theory and Its Applications to Materials, edited by , , and , AIP Conference Proceedings, Vol. 577, American Institute of Physics, College Park, MD, 2001.Google Scholar
[189] , “Thermal properties of the inhomogeneous electron gas,” Phys. Rev. 137:A1441–1443, 1965.Google Scholar
[190] , , , and , “Density-functional theory for fractional particle number: Derivative discontinuities of the energy,” Phys. Rev. Lett. 49:1691–1694, 1982.Google Scholar
[191] and , “Exact results for the charge and spin densities, exchange–correlation potentials, and density-functional eigenvalues,” Phys. Rev. B 31:3231–3244, 1985.Google Scholar
[192] , , and , “Self-energy operators and exchange–correlation potentials in semiconductors,” Phys. Rev. B 37:10159–10175, 1988.Google Scholar
[193] , “Electron correlation: Keeping close to an orbital description,” Int. J. Quant. Chemi. 56:445–452, 1995.Google Scholar
[194] , , and , “The Kohn–Sham gap, the fundamental gap and the optical gap: The physical meaning of occupied and virtual Kohn–Sham orbital energies,” Phys. Chem. Chem. Phys. 15:16408–16425, 2013.Google Scholar
[196] , , , and Jr., “Density-functional theory for fractional particle number: Derivative discontinuities of the energy,” Phys. Rev. Lett. 49:1691–1694, 1982.Google Scholar
[197] , , and , “Fractional charge perspective on the band gap in density-functional theory,” Phys. Rev. B 77:115123, 2008.Google Scholar
[198] , , and , “Discontinuous nature of the exchange– correlation functional in strongly correlated systems,” Phys. Rev. Lett. 102:066403, 2009.Google Scholar
[199] , , and , “Derivative discontinuity, bandgap and lowest unoccupied molecular orbital in density functional theory,” J. Chem. Phys. 136, 2012.Google Scholar
[200] , “On the stability of molecules in the Thomas–Fermi theory,” Rev. Mod. Phys. 34:627–631, 1962.Google Scholar
[201] , , , , and , “Generalized Kohn–Sham schemes and the band-gap problem,” Phys. Rev. B 53:3764–3774, 1996.Google Scholar
[202] , , , , and , “Combining GW calculations with exact-exchange density-functional theory: An analysis of valence-band photoemission for compound semiconductors,” New J. Phys. 7:126, 2005.Google Scholar
[203] and , “Self-interaction correction to density-functional approximations for many-electron systems,” Phys Rev. B 23:5048, 1981.www.easypostjob4u.comGoogle Scholar
[204] and , “A variational approach to the unipotential many-electron problem,” Phys. Rev. 90:317, 1953.Google Scholar
[205] , , , and , in Strong Coulomb Correlations in Electronic Structure: Beyond the Local Density Approximation, edited by V. I. Anisimov, Gordon & Breach, Tokyo, 1998.Google Scholar
[207] and , “Exchange–correlation energy of a metallic surface,” Solid Sate Comm. 17:1425–1429, 1975.Google Scholar
[208] and , “Exchange–correlation energy of a metallic surface:Wavevector analysis,” Phys. Rev. B 15:2884–2901, 1977.Google Scholar
[209] , , and , “Density-functional theory for superconductors,” Phys. Rev. Lett. 60:2430–2433, 1988.Google Scholar
[210] , , , , , , , , and , “Ab initio theory of superconductivity. I. Density functional formalism and approximate functionals,” Phys. Rev. B 72:024545, 2005.Google Scholar
[211] , , , , , , , , and , “Ab initio theory of superconductivity. II. Application to elemental metals,” Phys. Rev. B 72:024546, 2005.Google Scholar
[212] , “Interactions between electrons and lattice vibrations in a superconductor,” Soviet Phys. JETP 11:696–702, 1960.Google Scholar
[213] , , , , , , and , “Ab initio description of high-temperature superconductivity in dense molecular hydrogen,” Phys. Rev. Lett. 100:257001, 2008.Google Scholar
[214] Time-Dependent Density Functional Theory, Lecture Notes in Physics, Vol. 706, edited by , , , , , and , Springer-Verlag, Berlin, 2006.
[215] and , “Time-dependent density functional theory,” Ann. Rev. Phys. Chem. 55:427–455, 2004.Google Scholar
[216] , , , and , “Time-dependent density-functional theory for extended systems,” Rep. Prog. Phys. 70:357–407, 2007.Google Scholar
[217] and , “Density-functional theory for time-dependent systems,” Phys. Rev. Lett. 52:997–1000, 1984.Google Scholar
[218] , , and , in Density Functional Theory, edited by and , Plenum Press, New York, 1995, p. 149.Google Scholar
[219] , “Causality and symmetry in time-dependent density-functional theory,” Phys. Rev. Lett. 80:1280–1283, 1998.Google Scholar
[220] and , “Density-functional approach to local-field effects in finite systems: Photoabsorption in the rare gases,” Phys. Rev. A 21:1561, 1980.Google Scholar
[221] and , “Time-dependent Hartree–Fock equations and rotational states of nuclei,” Nucl. Phys. 31:211, 1962.Google Scholar
[222] and , “Current- and spin-density-functional theory for inhomogeneous electronic systems in strong magnetic fields,” Phys. Rev. B 37:10685–10696, 1988.Google Scholar
[223] and , “Current-dependent exchange–correlation potential for dynamical linear response theory,” Phys. Rev. Lett. 77:2037–2040, 1996.Google Scholar
[224] , “Causality and symmetry in time-dependent density-functional theory,” Phys. Rev. Lett. 80:1280–1283, 1998.Google Scholar
[225] , “Design of effective kernels for spectroscopy and molecular transport: Timedependent current-density-functional theory,” J. Chem. Phys. 134, 2011.Google Scholar
[228] , “More is different: Broken symmetry and the nature of the heirarchical structure of science,” Science 177:393–396, 1972.Google Scholar
[229] and , “Bose–Einstein condensation and liquid helium,” Phys. Rev. 104:576–584, 1956.Google Scholar
[230] , , , , , , , , , , , and , “Momentum distribution and renormalization factor in sodium and the electron gas,” Phys. Rev. Lett. 105:086403, 2010.Google Scholar
[231] , , , , , , and , “Momentum distribution of the homogeneous electron gas,” Phys. Rev. Lett. 107:110402, 2011.Google Scholar
[232] and , The Theory of Quantum Liquids, Vol. I (Advanced Book Classics, originally published in 1966), Addison-Wesley, Redwood City, CA, 1989.Google Scholar
[234] , “A new approach to quantum-statistical mechanics,” Prog. Theor. Phys. 14:351, 1955.Google Scholar
[239] , “Statistical-mechanical theory of irreversible processes. I. General theory and simple applications to magnetic and conduction problems,” Rep. Prog. Phys. 12:570, 1957.Google Scholar
[240] and , “Electron interaction in solids. Characteristic energy loss spectrum,” Phys. Rev. 113:1254–1267, 1959.Google Scholar
[241] and , “Nondiagonal response of Si by inelastic-X-ray-scattering experiments at Bragg position: Evidence for bulk plasmon bands,” Phys. Rev. Lett. 67:879– 882, 1991.Google Scholar
[242] , “Optical-properties of mono-crystalline silicon by electron-energy loss measurements,” Z. Phys. B: Condens. Matter 31:355–357, 1978.Google Scholar
[243] and , “Excitonic effects on the silicon plasmon resonance,” Phys. Rev. Lett. 86:5962–5965, 2001.Google Scholar
[244] , , , , , , , , , and , “Dynamic structure factor and dielectric function of silicon for finite momentum transfer: Inelastic X-ray scattering experiments and ab initio calculations,” Phys. Rev. B 81:085104, 2010.Google Scholar
[245] , , , and , “Temperature dependence of the dielectric function and interband critical points in silicon,” Phys. Rev. B 36:4821–4830, 1987.Google Scholar
[247] and , in Handbook on Synchrotron Radiation, edited by , North-Holland, Amsterdam, 1983, Ch. 8.Google Scholar
[248] , “Application of the Green's-functions method to the study of the opticalproperties of semiconductors,” Rivista del Nuovo Cimento 11:1–86, 1988.Google Scholar
[249] , Da Heisenberg a Landau. Introduzione alla fisica dei sistemi a molte particelle. Quaderni di Fisica Teorica, Bibliopolis, Napoli, via Arangio Ruiz 83, 2004.Google Scholar
[250] , , , and , “Conserving approximations in time-dependent density functional theory,” Phys. Rev. B 72:235109, 2005.Google Scholar
[252] , , , and , “Chemical-state effects in Augerelectron spectroscopy,” J. Chem. Phys. 69:1504–1512, 1978.Google Scholar
[253] , , , , , and , “Theoretical and experimental studies of the electronic states of the diatomic cation Cl2+ 2,” Phys. Rev. A 34:1657–1666, 1986.Google Scholar
[254] , , , and , “Double charge-transfer spectroscopy of diatomic-molecules,” J. Phys. B 6:197–205, 1973.Google Scholar
[255] , , , and , “Doubly ionized states of some polyatomic-molecules studied by double charge-transfer spectroscopy,” J. Phys. B 7:406– 414, 1974.Google Scholar
[256] , , and , “Green's function technique in atomic and molecular physics,” Adv. At. Mol. Phys. 7:287–361, 1971.Google Scholar
[257] , “On the eigenfunctions of many-particle systems in quantum mechanics,” Commun. Pure Appl. Math 10:151–177, 1957.Google Scholar
[258] and , “Cusp conditions for molecular wavefunctions,” J. Chem. Phys. 45:556–559, 1966.Google Scholar
[259] , “The insulating state of matter: A geometric approach,” Eur. Phys. J. B 79:121–137, 2011.Google Scholar
[261] , , and , “Insulator, metal, or superconductor: The criteria,” Phys. Rev. B 47:7995, 1993.Google Scholar
[262] , , and , “Polarization and localization in insulators: Generating function approach,” Phys. Rev. B 62:1666–1683, 2000.Google Scholar
[263] and , “Theory of polarization of crystalline solids,” Phys. Rev. B 47:1651–1654, 1993.Google Scholar
[264] and , “Macroscopic polarization as a geometric quantum phase: Many-body formulation,” Phys. Rev. B 49:14202–14210, 1994.Google Scholar
[266] and , “Fractionalization, topological order, and quasiparticle statistics,” Phys. Rev. Lett. 96:060601, 2006.Google Scholar
[267] , “The theory of Rayleigh's principle as applied to continuous systems,” Proc. Roy. Soc. London, Ser. A 119:276–293, 1928.Google Scholar
[268] , “Neue Berectnumg der Energie des Heeliums im Grundzustande, sowie tiefsten Terms von Ortho-Helium,” Z. Phys. 54:347, 1929.Google Scholar
[269] , “The lowest wave function of the symmetrical many particles system,” Physica VII:869, 1940.Google Scholar
[272] , “Quantized Hall conductivity in two dimensions,” Phys. Rev. B 23:5632– 5633, 1981.Google Scholar
[273] and , Proc. Roy. Soc. London, Ser. A 309:209, 1969.
[274] , “The collective treatment of a Fermi gas: II,” Proc. Phys. Soc. 77:1182, 1961.Google Scholar
[275] , “Ground state of the fermion one-component plasma: A Monte Carlo study in two and three dimensions,” Phys. Rev. B 18:3126–3138, 1978.Google Scholar
[277] , , , and , “Quantum Monte Carlo ground state energies for the atoms Li through Ar,” J. Chem. Phys. 131:044115, 2009.Google Scholar
[278] , , , , and , “Diffusion quantum Monte Carlo study of three-dimensional Wigner crystals,” Phys. Rev. B 69:085116, 2004.Google Scholar
[279] , , and , “Effects of three-body and backflow correlations in the 2D electron gas,” Phys. Rev. B. 48:12037, 1993.Google Scholar
[280] and , “Geminal wave functions with Jastrow correlation: A first application to atoms,” J. Chem. Phys. 119:6500–6511, 2003.Google Scholar
[281] , , and , “Correlated geminal wave function for molecules: An efficient resonating valence bond approach,” J. Chem. Phys. 121:7110–7126, 2004.Google Scholar
[283] , , , and , “Pfaffian pairing and backflow wavefunctions for electronic structure quantum Monte Carlo methods,” Phys. Rev. B 77:115112, 2008.Google Scholar
[284] , , , and , “Backflow correlations for the electron gas and metallic hydrogen,” Phys. Rev. E 68:046707:1–15, 2003.Google Scholar
[285] , , and , “Effects of backflow correlation in the threedimensional electron gas: Quantum Monte Carlo study,” Phys. Rev. B 58:6800–6806, 1998.Google Scholar
[286] , , , , and , “Inhomogeneous backflow transformations in quantum Monte Carlo calculations,” Phys. Rev. E 74:066701, 2006.Google Scholar
[287] , “On correlation effects in electron spectroscopies and the GW approximation,” J. Phys. C 11:R489–528, 1999.Google Scholar
[288] , in Electron Correlation in the Solid State, edited by , Imperial College Press, London, 1999, p. 103.Google Scholar
[289] , “Properties of the one-particle Green's function for nonuniform many-fermion systems,” Phys. Rev. 129:897–907, 1963.Google Scholar
[290] and , “Spectral properties of quasiparticles in a semiconductor,” Phys. Rev. B 56:10228–10232, 1997.Google Scholar
[291] , , and , “Quasiparticle self-consistent GW theory,” Phys. Rev. Lett. 96:226402–226402, 2006.Google Scholar
[292] , , and , “All-electron self-consistent GW approximation: Application to Si, MnO, and NiO,” Phys. Rev. Lett. 93:126406, 2004.Google Scholar
[293] , , and , “Quasiparticle self-consistent GW method: A basis for the independent-particle approximation,” Phys. Rev. B 76:165106, 2007.Google Scholar
[294] , “Perturbation theory for an infinite medium of fermions. II,” Phys. Rev. 121:950– 956, 1961.Google Scholar
[295] and , “Perturbation theory for an infinite medium of fermions,” Phys. Rev. 112:994–1007, 1958.Google Scholar
[296] , “Self-energy-functional approach to systems of correlated electrons,” Euro. Phys. J. B 32:429–436, 2003.Google Scholar
[297] and , “Effective-action approach to strongly correlated fermion systems,” Phys. Rev. B 63:115110, 2001.Google Scholar
[298] , , and , “Variational total energies from Φ- and Ψ-derivable theories,” Int. J. Mod. Phys. 13:535–541, 1999.Google Scholar
[299] and , “Conservation laws and correlation functions,” Phys. Rev. 124:287–299, 1961.Google Scholar
[300] , , and , “Total energies from variational functionals of the Green function and the renormalized four-point vertex,” Phys. Rev. B 74:195105, 2006.Google Scholar
[301] and , Many-Body Theory of Quantum Systems, Cambridge University Press, Cambridge, 2013.Google Scholar
[302] , , , and , “Dynamical mean-field theory of strongly correlated fermion systems and the limit of infinite dimensions,” Rev. Mod. Phys. 68:13–125, 1996.Google Scholar
[303] , , , , , and , “Electronic structure calculations with dynamical mean-field theory,” Rev. Mod. Phys. 78:865, 2006.Google Scholar
[304] and , “Variational principles for scattering processes. I,” Phys. Rev. 79:469–480, 1950.Google Scholar
[306] and , “Note on an approximation treatment for many-electron systems,” Phys. Rev. 46:618–622, 1934.Google Scholar
[307] , , , and , “Beyond the random-phase approximation for the electron correlation energy: The importance of single excitations,” Phys. Rev. Lett. 106:153003, 2011.Google Scholar
[308] , , and , “Stochastic evaluation of second-order many-body perturbation energies,” J. Chem. Phys. 137:204122, 2012.Google Scholar
[309] , “Many-body perturbation-theory and coupled cluster theory for electron correlation in molecules,” Ann. Rev. Phys. Chem. 32:359–401, 1981.Google Scholar
[310] and , “Coupled-cluster theory in quantum chemistry,” Rev. Mod. Phys. 79:291, 2007.Google Scholar
[312] , A Guide to Feynman Diagrams in the Many-Body Problem, Dover Books on Physics, Mineola, NY, 1992.Google Scholar
[314] and , “Classification invariante des termes de la matrice-s,” Helv. Phys. Acta 22:319, 1949.Google Scholar
[315] , “Derivation of the Brueckner many-body theory,” Proc. Roy. Soc. London, Ser. A 239:267–279, 1957.Google Scholar
[316] and , “Ground-state energy of a many-fermion system,” Phys. Rev. 118:41–45, 1960.Google Scholar
[318] and , “Generalized Hedin's equations for quantum many-body systems with spin-dependent interactions,” Phys. Rev. Lett. 100:116402, 2008.Google Scholar
[320] , “On the Green's functions of quantized fields.1.” Proc. Natl. Acad. Sci. USA 37:452–455, 1951.Google Scholar
[321] G.|Baym, “Self-consistent approximations in many-body systems,” Phys. Rev. 127:1391– 1401, 1962.
[322] , in Progress in Nonequilibrium Green's Functions III, Vol. 35 of Journal of Physics Conference Series, edited by , and , IOP Publishing, Bristol, 2006, pp. 127–144.Google Scholar
[323] and , “Hydrodynamic equations and correlation functions (Reprinted from Ann. Phys. 24:419–469, 1963),” Ann. Phys. 281:800–852, 2000.
[324] , “Quantum-theory of nonequilibrium processes. 1.” Ann. Phys. 152:239– 304, 1984.Google Scholar
[325] , “On the properties of a gas of charged particles,” Kgl. Danske Videnskab. Selskab, Mat.-fys. Medd. 28:1–57, 1954.Google Scholar
[326] , “The description of collective motions in terms of many-body perturbation theory,” Proc. Roy. Soc. London, Ser. A 240:539–560, 1957.Google Scholar
[327] and , “Electron self-energy approach to correlation in a degenerate electron gas,” Phys. Rev. 112:812–827, 1958; Phys. Rev. Lett. 1:303, 1958.Google Scholar
[328] , “Interaction of charged particles with a degenerate Fermi–Dirac electron gas,” Phys. Rev. 114:644–654, 1959.Google Scholar
[331] , “The range of hot electrons and holes in metals,” App. Phys. Lett. 2:167–169, 1963.Google Scholar
[332] , “Effects of the electron interaction on the energy levels of electrons in metals,” Trans. Faraday Soc. 34:678, 1938.Google Scholar
[334] and , “Effects of electron–electron and electron–phonon interactions on the one-electron states of solids,” Solid State Phys. 23:1, 1969.Google Scholar
[335] and , “Physical interpretation and assessment of the Coulomb-hole and screened-exchange approximation for molecules,” Phys. Rev. A 40:4837–4848, 1989.Google Scholar
[336] and , “Über den Einfluss der Deformierbarekit der Ionen auf optische und chemische Konstanten. I.” Z. Phys. 23:388, 1924.Google Scholar
[337] and , “Locality of the density matrix in metals, semiconductors, and insulators,” Phys. Rev. Lett. 82:2127–2130, 1999.Google Scholar
[338] and , “Exponential decay properties of Wannier functions and related quantities,” Phys. Rev. Lett. 86:5341–5344, 2001.Google Scholar
[339] , , and , “Spatial decay of the single-particle density matrix in insulators: Analytic results in two and three dimensions,” Phys. Rev. Lett. 88:196405–196408, 2002.Google Scholar
[340] , , , , and , “Spatial decay of the single-particle density matrix in tight-binding metals: Analytic results in two dimensions,” Phys. Rev. B 66:233101, 2002.Google Scholar
[341] and , “1-particle properties of an inhomogeneous interacting electron gas,” Phys. Rev. 145:561–567, 1966.Google Scholar
[342] and , “Quasiparticle energies in semiconductors: Self-energy correction to the local-density approximation,” Phys. Rev. Lett. 62:2160–2163, 1989.Google Scholar
[343] , , and , “Local self-energy approach for electronic structure calculations,” Phys. Rev. Lett. 96:226403, 2006.Google Scholar
[344] , , and , “Space-time method for ab-initio calculations of self-energies and dielectric response functions of solids,” Phys. Rev. Lett. 74:1827–1830, 1995.Google Scholar
[345] , , , , and , “The GW spacetime method for the self-energy of large systems,” Comput. Phys. Commun. 117:211–228, 1999.Google Scholar
[346] , , and , “Dynamical aspects of correlation corrections in a covalent crystal,” Phys. Rev. B 25:2867–2888, 1982.Google Scholar
[348] , , , and , “Dynamical screening and quasi-particle spectral functions for nonmetals,” Phys. Rev. B 49:7357–7362, 1994.Google Scholar
[349] , , and , in Progress in Nonequilibrium Green's Functions III, Vol. 35 of Journal of Physics Conference Series, edited by and , IOP Publishing, Bristol, 2006, pp. 324–339.Google Scholar
[350] , , and , “Levels of self-consistency in the GW approximation,” J. Chem. Phys. 130:224101, 2009.Google Scholar
[351] and , “Fully self-consistent GW self-energy of the electron gas,” Phys. Rev. B 57:2108–2117, 1998.Google Scholar
[352] and , “Self-consistent GW results for the electron gas: Fixed screened potential W within the random-phase approximation,” Phys. Rev. B 54:8411–8419, 1996 [Erratum: Phys. Rev. B 55:10120–10122, 1997].Google Scholar
[353] , “GW approximation of the many-body problem and changes in the particle number,” Phys. Rev. Lett. 103:176403, 2009.Google Scholar
[354] , , , , and , “Quasiparticle gaps and exciton Coulomb energies in Si nanoshells: First-principles calculations,” Phys. Rev. B 80:153411, 2009.Google Scholar
[355] , , and , “First principles study of photoelectron spectra of Cu- n clusters,” Phys. Rev. Lett. 75:2104–2107, 1995.Google Scholar
[356] , , and , “First-principles calculations of the electronic structure and spectra of strongly correlated systems: The LDA+U method,” J. Phys. Condens. Matter 9:767–808, 1997.Google Scholar
[357] , , and , “Coulomb correlations and orbital polarization in the metal–insulator transition of VO2,” Phys. Rev. B 71:085109, 2005.Google Scholar
[358] , , and , “Variation of orbital symmetry of the localized 3d(1) electron of the V4+ ion upon the metal–insulator transition in VO2,” Phys. Met. Metall. 94:17–23, 2002.Google Scholar
[359] , , and , “Self-energy corrections in VO2 within a model GW scheme,” Phys. Rev. B 60:15699–15704, 1999.Google Scholar
[360] , , , and , “Understanding correlations in vanadium dioxide from first principles,” Phys. Rev. Lett. 99:266402, 2007.Google Scholar
[361] , , and , “First-principles study of correlation effects in VO2,” Phys. Rev. B 78:075106, 2008.Google Scholar
[362] , , and , “Quasiparticle band structure of vanadium dioxide,” J. Phys. Condens. Matter 21:474212, 2009.Google Scholar
[363] and , “Self-interaction correction to density-functional approximations for many-electron systems,” Phys. Rev. B 23:5048–5079, 1981.Google Scholar
[364] and , “Good semiconductor band-gaps with a modified localdensity approximation,” Phys. Rev. B 41:7868–7871, 1990.Google Scholar
[365] , , and , “Hybrid functionals based on a screened Coulomb potential (Erratum: J. Chem. Phys. 124:219906, 2006),” J. Chem. Phys. 118:8207– 8215, 2003.Google Scholar
[366] , , , , and , “Strong interplay between structure and electronic properties in CuIn(S, Se)(2): A first-principles study,” Phys. Rev. Lett. 104:056401, 2010.Google Scholar
[367] , “Violation of particle number conservation in the GW approximation,” Phys. Rev. B 56:3528–3531, 1997.Google Scholar
[368] , , and , “Diagrammatic self-energy approximations and the total particle number,” Phys. Rev. B 64:235106, 2001.Google Scholar
[369] and , “Self-consistent calculation of total energies of the electron gas using many-body perturbation theory,” Phys. Rev. B 63:075112, 2001.Google Scholar
[370] and , “Charge density of semiconductors in the GW approximation,” Phys. Rev. B 58:1343–1348, 1998.Google Scholar
[371] and , “Application of quantum field theory methods to the many body problem,” Soviet Phys. JETP 7:96–104, 1958.Google Scholar
[372] , , and , “Variational total energies from Phiand Psi-derivable theories,” Int. J. Mod. Phys. B 13:535–541, 1999.Google Scholar
[373] , , and , “Variational energy functionals of the Green function and of the density tested on molecules,” Phys. Rev. A 73:012511, 2006.Google Scholar
[374] , , and , “The Luttinger–Ward method applied to the 2D Coulomb gas,” Phys. Stat. Sol. B 245:421–427, 2008.Google Scholar
[375] and , “Variational energy functionals tested on atoms,” Phys. Rev. B 69:195102, 2004.Google Scholar
[376] , “Molecular tests of the random phase approximation to the exchange–correlation energy functional,” Phys. Rev. B 64:195120, 2001.Google Scholar
[377] and , “Accurate density functionals: Approaches using the adiabaticconnection fluctuation–dissipation theorem,” Phys. Rev. B 65:235109, 2002.Google Scholar
[378] , , , , , , and , “Assessment of correlation energies based on the random-phase approximation,” New J. Phys. 14:053020, 2012.Google Scholar
[379] , , and , “Total energy method from many-body formulation,” Phys. Rev. Lett. 88:166401, 2002.Google Scholar
[380] , , , , , and , “Total energy of solids: An exchange and random-phase approximation correlation study,” Phys. Rev. B 66:245103, 2002.Google Scholar
[381] , , , and , “Comment on ‘Total energy method from many-body formulation,’” Phys. Rev. Lett. 90:189701, 2003.Google Scholar
[382] , , and , “Aryasetiawan, Miyake, and Terakura reply,” Phys. Rev. Lett. 90:189702, 2003.Google Scholar
[383] , “Single-particle spectrum of the degenerate electron gas,” Z. Phys. B: Condens. Matter 6:193–205, 1967.Google Scholar
[384] , “Single-particle spectrum of degenerate electron gas 2. Numerical results for electrons coupled to plasmons,” Phys. Kondens. Mater. 6:206, 1967.Google Scholar
[385] and , “Band tails and bandwidth in simple metals,” Phys. Rev. B 45:6243–6246, 1992.Google Scholar
[386] , , , , , and , “Vertex corrections in localized and extended systems,” Phys. Rev. B 76:155106, 2007.Google Scholar
[387] , , , and , “Quantum Monte Carlo study of sodium,” Phys. Rev. B 68:165103, 2003.Google Scholar
[388] and , “Quasiparticle band structure of Na and simple metals,” Phys. Rev. Lett. 60:1558–1561, 1988.Google Scholar
[390] , , , , , , and , “Momentum distribution of the homogeneous electron gas,” Phys. Rev. Lett. 107:110402, 2011.Google Scholar
[391] , , and , “Spectral moments in the homogeneous electron gas,” Phys. Rev. B 69:045113, 2004.Google Scholar
[393] , , and , “Spectra and total energies from selfconsistent many-body perturbation theory,” Phys. Rev. B 58:12684–12690, 1998.Google Scholar
[395] and , “Many-body GW calculations of ground-state properties: Quasi-2D electron systems and van der Waals forces,” Phys. Rev. Lett. 88:056406, 2002.Google Scholar
[396] , , and , “The self-energy beyond GW: Local and nonlocal vertex corrections,” J. Chem. Phys. 131:154111, 2009.Google Scholar
[397] The LDA+DMFT Approach to Strongly Correlated Materials: Lecture Notes of the Autumn School 2011, Forschungszentrum Juelich, edited by , , , and , Forschungszentrum Juelich GmbH and Institute for Advanced Simulations, Juelich, Germany, 2011.
[398] , , , and , “Self-interaction in Green's-function theory of the hydrogen atom,” Phys. Rev. A 75:032505, 2007.Google Scholar
[399] , “GW calculations in an exactly solvable model system at different dilution regimes: The problem of the self-interaction in the correlation part,” Phys. Rev. A 79:052513, 2009.Google Scholar
[400] , , and , “GW approximation with self-screening correction,” Phys. Rev. B 85:035106, 2012.Google Scholar
[401] , , and , “Evaluation of GW approximations for the self-energy of a Hubbard cluster,” Phys. Rev. Lett. 74:2327–2330, 1995.Google Scholar
[402] , , and , “Assessment of the GW approximation using Hubbard chains,” J. Phys. Condens. Matter 10:1273–1283, 1998.Google Scholar
[403] , , , and , “Electronic correlation in nanoscale junctions: Comparison of the GW approximation to a numerically exact solution of the single-impurity Anderson model,” Phys. Rev. B 77:045119, 2008.Google Scholar
[404] , , , , , , and , “Bond breaking and bond formation: How electron correlation is captured in many-body perturbation theory and density-functional theory,” Phys. Rev. Lett. 110:146403, 2013.Google Scholar
[405] , “Relativistic energies of the ground state of the hydrogen molecule,” J. Chem. Phys. 99(3):1851–1868, 1993.Google Scholar
[407] , “Characteristic structure in core electron spectra of metals due to electron– plasmon coupling,” Phys. Kondens. Mater. 9:236, 1969.Google Scholar
[408] , , and , “Quasiparticle calculations in solids,” Solid State Phys. 54:1–218, 2000.Google Scholar
[409] and , “Electron self-energy approach to correlation in a degenerate electron gas,” Phys. Rev. 112:812–827, 1958.Google Scholar
[410] , “Electron interactions: Part I. Field theory of a degenerate electron gas,” Ann. Phys. 7:174–237, 1959.Google Scholar
[411] , “Electron interactions: Part II. Properties of a dense electron gas,” Ann. Phys. 8:24–77, 1959.Google Scholar
[412] , “Single-particle spectrum of degenerate electron gas 3. Numerical results in random phase approximation,” Phys. Kondens. Mater. 7:117, 1968.Google Scholar
[413] , “Effects of electron–electron interaction on properties of metals,” Ann. Phys. 31:100, 1965.Google Scholar
[414] and , “Electron–electron interactions and the bandwidth of metals,” Phys. Rev. Lett. 62:2718–2720, 1989.Google Scholar
[415] and , “Band tails and bandwidth in simple metals,” Phys. Rev. B 45:6243–6246, 1992.Google Scholar
[416] , , and , “Dynamical correlation effects on the quasiparticle Bloch states of a covalent crystal,” Phys. Rev. Lett. 45:290–294, 1980.Google Scholar
[417] , , and , “Dynamical aspects of correlation corrections in a covalent crystal,” Phys. Rev. B 25:2867–2888, 1982.Google Scholar
[418] and , “First-principles theory of quasiparticles: Calculation of band gaps in semiconductors and insulators,” Phys. Rev. Lett. 55:1418–1421, 1985.Google Scholar
[419] and , “Electron correlation and the band gap in ionic crystals,” Phys. Rev. B 32:7005–7008, 1985.Google Scholar
[420] and , “Erratum: Electron correlation and the band gap in ionic crystals,” Phys. Rev. B 35:9308, 1987.Google Scholar
[421] and , “Electron correlation in semiconductors and insulators: Band gaps and quasiparticle energies,” Phys. Rev. B 34:5390–5413, 1986.Google Scholar
[422] , , and , “Accurate exchange–correlation potential for silicon and its discontinuity on addition of an electron,” Phys. Rev. Lett. 56:2415–2418, 1986.Google Scholar
[423] , , and , “Quasiparticle energies in GaAs and AlAs,” Phys. Rev. B 35:4170–4171, 1987.Google Scholar
[424] , , and , “Trends in self-energy operators and their corresponding exchange–correlation potentials,” Phys. Rev. B 36:6497–6500, 1987.Google Scholar
[425] , , and , “New structure in single-particle spectrum of an electron gas,” Solid State Commun. 5:237–239, 1967.Google Scholar
[426] , , , and , “GW approximations and vertex corrections on the Keldysh time-loop contour: Application for model systems at equilibrium,” Phys. Rev. B 84:195114, 2011.Google Scholar
[427] , “Self-consistent density-functional approach to the correlated ground states and an unrestricted many-body perturbation theory,” Phil. Mag. B 76:145–192, 1996.Google Scholar
[428] , “Electron correlation – keeping close to an orbital description,” Int. J. Quantum Chem. 56:445–452, 1995.Google Scholar
[429] , , , , and , “GW study of the metal– insulator transition of bcc hydrogen,” Phys. Rev. B 66:035102, 2002.Google Scholar
[430] , , , , and , “Combining GW calculations with exact-exchange density-functional theory: An analysis of valence-band photoemission for compound semiconductors,” New J. Phys. 7:126, 2005.Google Scholar
[431] and , “GW quasiparticle calculations in atoms,” Phys. Rev. B 47:15404–15412, 1993.Google Scholar
[432] , “A new mixing of Hartree–Fock and local density-functional theories,” J. Chem. Phys. 98:1372–1377, 1993.Google Scholar
[433] , , and , “Hybrid functionals based on a screened Coulomb potential,” J. Chem. Phys. 118:8207–8215, 2003.Google Scholar
[434] , , , , and , “Quasiparticle band structure based on a generalized Kohn–Sham scheme,” Phys. Rev. B 76:115109, 2007.Google Scholar
[435] , , , , and , “Density functional theory and NiO photoemission spectra,” Phys. Rev. B 48:16929–16934, 1993.Google Scholar
[436] , , , and , “Quasiparticle energy of semicore d electrons in ZnS: Combined LDA + U and GW approach,” Phys. Rev. B 74:245213, 2006.Google Scholar
[437] , , , and , “GW quasiparticle corrections to the LDA+U and GGA+U electronic structure of bcc hydrogen,” Phys. Rev. B 77:155114, 2008.Google Scholar
[438] , , , and , “GW approximation with LSDA+U method and applications to NiO, MnO, and V2O3,” Phys. Rev. B 78:155112, 2008.Google Scholar
[439] , , , and , “Localized and itinerant states in lanthanide oxides united by GW @ LDA+U,” Phys. Rev. Lett. 102:126403, 2009.Google Scholar
[440] , Phys. Kondens. Mater. 6:206, 1967.
[441] and , “Metal–insulator transition in Kohn–Sham theory and quasiparticle theory,” Phys. Rev. Lett. 62:1169–1172, 1989.Google Scholar
[442] , , , , and , “Band offsets at the Si/SiO2 interface from many-body perturbation theory,” Phys. Rev. Lett. 100:186401, 2008.Google Scholar
[443] , , and , “Electron self-energy calculation using a general multi-pole approximation,” J. Phys. Condens. Matter 15:2573–2586, 2003.Google Scholar
[444] , , and , “Multi-pole representation of the dielectric matrix,” Physica Scripta T115:243–245, 2005.Google Scholar
[445] and , “New model dielectric function and exchange–correlation potential for semiconductors and insulators,” Phys. Rev. B 25:6310–6316, 1982.Google Scholar
[446] and , “Model dielectric matrices for quasiparticle self-energy calculations,” Phys. Rev. B 37:2733–2736, 1988.Google Scholar
[447] , , , and , “An efficient method for calculating quasi-particle energies in semiconductors,” Solid State Commun. 84:765–770, 1992.Google Scholar
[448] and , “Local-density approximation for dynamical correlation corrections to single-particle excitations in insulators,” Phys. Rev. B 30:4719–4733, 1984.Google Scholar
[449] , , , and , “Band-structure picture for MnO reexplored: A model GW calculation,” Phys. Rev. Lett. 74:2323–2326, 1995.Google Scholar
[450] , , , and , “Quasiparticle energy bands of transition-metal oxides within a model GW scheme,” Phys. Rev. B 55:13494–13502, 1997.Google Scholar
[451] and , “Dielectric scaling of the self-energy scissor operator in semiconductors and insulators,” Phys. Rev. B 51:17196–17198, 1995.Google Scholar
[453] and , “Correlated potentials for simple metals: Aluminium,” J. Phys. F: Met. Phys. 5:1155, 1975.Google Scholar
[454] , , and , “Effect of semicore orbitals on the electronic band gaps of Si, Ge, and GaAs within the GW approximation,” Phys. Rev. B 69:125212, 2004.Google Scholar
[455] , , , and , “Influence of the core– valence interaction and of the pseudopotential approximation on the electron self-energy in semiconductors,” Phys. Rev. Lett. 101:106404, 2008.Google Scholar
[456] , , and , “Quasiparticle band structure of CdS,” Phys. Rev. Lett. 75:3489–3492, 1995.Google Scholar
[457] , , , , and , “Combining GW calculations with exact-exchange density-functional theory: An analysis of valence-band photoemission for compound semiconductors,” New J. Phys. 7:126, 2005.Google Scholar
[458] , , and , “Quasiparticle electronic structure of copper in the GW approximation,” Phys. Rev. Lett. 88:016403, 2001.Google Scholar
[459] , , , , , and , “Exchange and correlation effects in electronic excitations of Cu2O,” Phys. Rev. Lett. 97:267601, 2006.Google Scholar
[460] and , “Ground-state properties of alkali dimers and their cations (including the elements Li, Na, and K) from ab initio calculations with effective core polarization potentials,” J. Chem. Phys. 80:3311–3320, 1984.Google Scholar
[461] , , and , “Treatment of intershell correlation-effects in ab initio calculations by use of core polarization potentials – method and application to alkali and alkaline-earth atoms,” J. Chem. Phys. 80:3297–3310, 1984.Google Scholar
[462] , , and , “Core polarization in semiconductors: Effects on quasiparticle energies,” Phys. Rev. Lett. 69:2955–2958, 1992.Google Scholar
[464] , , , , , , and , “Accuracy of the pseudopotential approximation in ab initio theoretical spectroscopies,” Phys. Rev. B 78:245124, 2008.Google Scholar
[466] and , “From ultrasoft pseudopotentials to the projector augmented-wave method,” Phys. Rev. B 59:1758–1775, 1999.Google Scholar
[467] and , “All-electron projector-augmented-wave GW approximation: Application to the electronic properties of semiconductors,” Phys. Rev. B 62:4464–4476, 2000.Google Scholar
[468] , , , , and , “Linear optical properties in the projector-augmented wave methodology,” Phys. Rev. B 73:045112, 2006.Google Scholar
[469] and , “Implementation and performance of the frequency-dependent GW method within the PAW framework,” Phys. Rev. B 74:035101, 2006.Google Scholar
[470] , , and , “Effects of low-energy excitations on spectral properties at higher binding energy: The metal–insulator transition of VO)2,” Phys. Rev. Lett. 114:116402, 2015.Google Scholar
[471] , , and , “Adequacy of approximations in GW theory,” Phys. Rev. B 74:245125, 2006.Google Scholar
[472] and , “Band-gap energy in the random-phase approximation to density-functional theory,” Phys. Rev. B 70:245115, 2004.Google Scholar
[474] , , , and , “Electronic structure of the C(111) surface: Solution by self-consistent many-body calculations,” Phys. Rev. B 72:115415, 2005.Google Scholar
[475] , , and , “Effect of self-consistency on quasiparticles in solids,” Phys. Rev. B 74:045102, 2006.Google Scholar
[476] , , and , “Effective quasiparticle Hamiltonian based on Löwdin's orthogonalization,” Phys. Rev. B 80:235128, 2009.Google Scholar
[477] and , “Self-consistent GW calculations for semiconductors and insulators,” Phys. Rev. B 75:235102, 2007.Google Scholar
[478] , , , , and , “Unified description of ground and excited states of finite systems: The self-consistent GW approach,” Phys. Rev. B 86:081102, 2012.Google Scholar
[479] , , , , , , , , and , “Benchmark of GW methods for azabenzenes,” Phys. Rev. B 86:245127, 2012.Google Scholar
[480] , , and , “Self-consistent GW for a quasi-onedimensional semiconductor,” Phys. Rev. B 52:11000–11007, 1995.Google Scholar
[481] and , “Self-consistent calculations of quasiparticle states in metals and semiconductors,” Phys. Rev. Lett. 81:1662–1665, 1998.Google Scholar
[482] , , and , “Approximations for many-body Green's functions: Insights from the fundamental equations,” New J. Phys.14, 2012.Google Scholar
[483] , , , , , and , “Solution to the many-body problem in one point,” New J. Phys. 16:113025, 2014.Google Scholar
[484] , “Self-energy of ferromagnetic nickel in the GW approximation,” Phys. Rev. B 46:13051–13064, 1992.Google Scholar
[485] , , and , “Discrete approach to self-consistent GW calculations in an electron gas,” Phys. Rev. B 71:245122, 2005.Google Scholar
[486] , , , and , “GW approach to the calculation of electron self-energies in semiconductors,” Phys. Rev. B 38:7530–7534, 1988.Google Scholar
[487] , , , and , “Implementation of an all-electron GW approximation based on the projector augmented wave method without plasmon pole approximation: Application to Si, SiC, AlAs, InAs, NaH, and KH,” Phys. Rev. B 67:155208, 2003.Google Scholar
[488] , , and , “Space-time method for ab initio calculations of self-energies and dielectric response functions of solids,” Phys. Rev. Lett. 74:1827–1830, 1995.Google Scholar
[489] , , and , “Generalization of Hartree–Fock one-particle potential,” Int. J. Quant. Chem. 8:501–509, 1974.Google Scholar
[490] , , and , “Calculation of ionization-potentials from density matrices and natural functions, and long-range behavior of natural orbitals and electrondensity,” J. Chem. Phys. 62(2):549–554, 1975.Google Scholar
[491] , , and , “Electron correlation methods based on the random phase approximation,” Theor. Chem. Acc. 131(1):1084, 2012.Google Scholar
[492] , , and , “Efficient iterative method for calculations of dielectric matrices,” Phys. Rev. B 78:113303, 2008.Google Scholar
[493] and , “Large scale GWcalculations,” J. Chem. Theory Comput. 11:2680– 2696, 2015.Google Scholar
[494] , , and , “Optimal representation of the polarization propagator for large-scale GW calculations,” Phys. Rev. B 79:201104, 2009.Google Scholar
[495] , , and , “GW quasiparticle spectra from occupied states only,” Phys. Rev. B 81:115104, 2010.Google Scholar
[496] , , and , “GW method with the self-consistent Sternheimer equation,” Phys. Rev. B 81:115105, 2010.Google Scholar
[498] and , “Linear-muffin-tin-orbital method with multiple orbitals per L channel,” Phys. Rev. B 49:7219–7232, 1994.Google Scholar
[499] and , “Electronic structure of NiO in the GW approximation,” Phys. Rev. Lett. 74:3221–3224, 1995.Google Scholar
[500] , , and , “Quasiparticle band-structure calculations for C, Si, Ge, GaAs, and SiC using Gaussian-orbital basis sets,” Phys. Rev. B 48:17791–17805, 1993.Google Scholar
[501] , , and , “First-principles GW calculations for fullerenes, porphyrins, phtalocyanine, and other molecules of interest for organic photovoltaic applications,” Phys. Rev. B 83:115103, 2011.Google Scholar
[502] and , “Maximally localized generalized Wannier functions for composite energy bands,” Phys. Rev. B 56:12847–12865, 1997.Google Scholar
[503] , , , , , , and , “The SIESTA method for ab initio order-N materials simulation,” J. Phys. Condens. Matter 14:2745–2779, 2002.Google Scholar
[504] , , , , , , , and , “Ab initio molecular simulations with numeric atom-centered orbitals,” Comput. Phys. Commun. 180:2175–2196, 2009.Google Scholar
[505] , , and , “Efficient implementation of the GW approximation within the all-electron FLAPW method,” Phys. Rev. B 81:125102, 2010.Google Scholar
[506] , , and , “Total-energy all-electron density functional method for bulk solids and surfaces,” Phys. Rev. B 26:4571, 1982.Google Scholar
[507] and , “Product-basis method for calculating dielectric matrices,” Phys. Rev. B 49:16214–16222, 1994.Google Scholar
[508] , , , , and , “Ab initio calculations of the quasiparticle and absorption spectra of clusters: The sodium tetramer,” Phys. Rev. Lett. 75:818–821, 1995.Google Scholar
[509] , “Truncation of periodic image interactions for confined systems,” Phys. Rev. B 73:233103, 2006.Google Scholar
[510] , , , and , “Ab initio calculation of self-energy effects on optical properties of GaAs(110),” Phys. Rev. Lett. 81:5374–5377, 1998.Google Scholar
[511] , “Analytic evaluation of the electronic self-energy in the GW approximation for two electrons on a sphere,” Phys. Rev. B 87:075104, 2013.Google Scholar
[512] , , and , “Predictive GW calculations using plane waves and pseudopotentials,” Phys. Rev. B 90:075125, 2014.Google Scholar
[513] , , , , and , “Comment on ‘Band-gap problem in semiconductors revisited: Effects of core states and many-body self-consistency,’” Phys. Rev. Lett. 93:249701, 2004.Google Scholar
[514] , , and , “Ab initio calculations of electronic excitations: Collapsing spectral sums,” Phys. Rev. B 82:041103(R), 2010.Google Scholar
[515] and , “Nearsightedness of electronic matter,” Proc. Natl. Acad. Sci. USA 102:11635–11638, 2005.Google Scholar
[516] and , “Crystal potential and energy bands of semiconductors. IV. Exchange and correlation,” Phys. Rev. 128:2098–2102, 1962.Google Scholar
[517] and , “Crystal potential and correlation for energy bands in valence semiconductors,” Phys. Rev. 149:597–613, 1966.Google Scholar
[518] , “Comparison of screened exchange with the Slater approximation for silicon,” Phys. Rev. B 5:1493–1499, 1972.Google Scholar
[519] and , “Band-gap problem in semiconductors revisited: Effects of core states and many-body self-consistency,” Phys. Rev. Lett. 89:126401, 2002.Google Scholar
[520] , , , and , “Influence of the core– valence interaction and of the pseudopotential approximation on the electron self-energy in semiconductors,” Phys. Rev. Lett. 101:106404, 2008.Google Scholar
[521] , , , , , , , , , and , “Valence electron photoemission spectrum of semiconductors: Ab initio description of multiple satellites,” Phys. Rev. Lett. 107:166401, 2011.Google Scholar
[523] , , , , and , “Angle-resolved photoemission studies of Ge(111)-c(2X1), Ge(111)-(1X1)H, Si(111)-(7X7), and Si(100)- (2X1),” Phys. Rev. B 32:2326–2333, 1985.Google Scholar
[524] , , , and , “Sb-induced bulk band transitions in Si(111) and Si(001) observed in synchrotron photoemission-studies,” Phys. Rev. B 39:1438– 1441, 1989.Google Scholar
[525] , , , , and , “Synchrotron photoemission studies of the Sb-passivated Si surfaces: Degenerate doping and bulk band dispersions,” Phys. Rev. B 40:11804–11816, 1989.Google Scholar
[526] , , , , and , “The direct measurement of spectral momentum densities of silicon with high energy (e, 2e) spectroscopy,” J. Electron Spectrosc. Relat. Phenom. 141:95–104, 2004.Google Scholar
[527] , , , and , “Band structure of silicon as measured in extended momentum space,” Phys. Rev. B 73:085207, 2006.Google Scholar
[528] and , “Inverse-photoemission study of Ge(100), Si(100), and GaAs(100) – bulk bands and surface-states,” Phys. Rev. B 47:2130–2137, 1993.Google Scholar
[529] , , and , “Inverse-photoemission study of unoccupied electronic states in Ge and Si – bulk energy-bands,” Phys. Rev. B 33:2607–2614, 1986.Google Scholar
[530] , , and , “Excited state calculations in solids by auxiliary-field quantum Monte Carlo,” New J. Phys. 15:093017, 2013.Google Scholar
[531] , , , and , “Diffusion quantum Monte Carlo calculations of the excited states of silicon,” Phys. Rev. B 57:12140–12144, 1998.Google Scholar
[532] and , “Atomic subshell photoionization cross sections and asymmetry parameters: 1 ≤ Z ≤ 103,” Atom. Data Nucl. Data Tab. 32(1):1–155, 1985.Google Scholar
[533] , , , , , and , “Band gap and band parameters of InN and GaN from quasiparticle energy calculations based on exact-exchange density-functional theory,” Appl. Phys. Lett. 89:161919, 2006.Google Scholar
[534] , , , and , “Parameter-free quasiparticle calculations for YH3,” Phys. Rev. Lett. 85:2989–2992, 2000.Google Scholar
[535] , , , and , “GW quasiparticle band structure of YH3,” Phys. Rev. B 61:16491–16496, 2000.Google Scholar
[536] , , , , and , “Parameterfree calculation of single-particle electronic excitations in YH3,” Phys. Rev. B 66:075104, 2002.Google Scholar
[537] , , , and , “First-principles studies of quasiparticle band structures of cubic YH3 and LaH3,” Phys. Rev. B 67:125110, 2003.Google Scholar
[538] , , , and , “Electronic structure of lanthanum hydrides with switchable optical properties,” Phys. Rev. Lett. 78:1311–1314, 1997.Google Scholar
[539] , , and , “Kondo-lattice-like effects of hydrogen in transition metals,” Phys. Rev. B 56:10115–10120, 1997.Google Scholar
[540] , , , , , and , “Quasiparticle self-consistent GW theory of III–V nitride semiconductors: Bands, gap bowing, and effective masses,” Phys. Rev. B 82:115102, 2010.Google Scholar
[541] , , , , , and , “Quasiparticle self-consistent GW calculations for PbS, PbSe, and PbTe: Band structure and pressure coefficients,” Phys. Rev. B 81:245120, 2010.Google Scholar
[542] , , and , “Ab initio prediction of conduction band spin splitting in zinc blende semiconductors,” Phys. Rev. Lett. 96:086405, 2006.Google Scholar
[543] , , , and , “Quasiparticle effective-mass theory in semiconductors,” Phys. Rev. B 66:125204, 2002.Google Scholar
[544] , , , , and , “Ab initio GW many-body effects in graphene,” Phys. Rev. Lett. 101:226405, 2008.Google Scholar
[545] , , , , , , and , “Many-body interactions in quasi-freestanding graphene,” Proc. Natl. Acad. Sci. USA 108:11365–11369, 2011.Google Scholar
[546] , , , and , “Experimental observation of the quantum Hall effect and Berry's phase in graphene,” Nature 438:201–204, 2005.Google Scholar
[547] , , and , “First-principles calculation of the plasmon resonance and of the reflectance spectrum of silver in the GWapproximation,” Phys. Rev. B 66:115101, 2002.Google Scholar
[548] , , , , and , “Band offsets at the Si/SiO2 interface from many-body perturbation theory,” Phys. Rev. Lett. 100:186401, 2008.Google Scholar
[549] , , and , “First-principles calculations of manybody band-gap narrowing at an Al/GaAs(110) interface,” Phys. Rev. Lett. 70:1685–1688, 1993.Google Scholar
[550] , , , and , “Theory of inelastic lifetimes of low-energy electrons in metals,” Chem. Phys. 251:1–35, 2000.Google Scholar
[551] , “Theoretical determination of electronic lifetimes in metals,” J. Progr. Surf. Sci. 82:161–192, 2007.Google Scholar
[552] , , , , , , and , “Lifetime of d holes at Cu surfaces: Theory and experiment,” Phys. Rev. B 64:085423, 2001.Google Scholar
[553] , , and , “First-principles quasiparticle damping rates in bulk lead,” Phys. Rev. B 84:115144, 2011.Google Scholar
[554] , , , and , “Lifetimes of quasiparticle excitations in 4d transition metals: Scattering theory and LMTO-RPA-GW approaches,” Phys. Rev. B 65:115116, 2002.Google Scholar
[555] , , and , “First-principles T-matrix theory with application to the 6 eV satellite in Ni,” Phys. Rev. Lett. 80:2389–2392, 1998.Google Scholar
[556] , , , , and , “First-principles study of electron linewidths in graphene,” Phys. Rev. Lett. 102:076803, 2009.Google Scholar
[557] , , , , , , and , “Electronic excitations in metals and at metal surfaces,” Chem. Rev. 106:4160–4206, 2006.Google Scholar
[558] and , “Impact ionization rates for Si, GaAs, InAs, ZnS, and GaN in the GW approximation,” Phys. Rev. B 81:125201, 2010.Google Scholar
[559] , , , , , and , “First-principles calculations and bias-dependent STM measurements at the alpha-Sn/Ge(111) surface,” Europhys. Lett. 85:66001, 2009.Google Scholar
[560] and , “Screening properties of surface states at Si(111) 2x1,” Phys. Rev. B 38:12768–12771, 1988.Google Scholar
[561] and , “Non-conventional screening of the Coulomb interaction in low-dimensional and finite-size systems,” Europhys. Lett. 50:447–453, 2000.Google Scholar
[562] , , , , , and , “Electron–hole interaction in carbon nanotubes: Novel screening and exciton excitation spectra,” Nano. Lett. 9:1330–1334, 2009.Google Scholar
[563] , “Ionization energy of atoms obtained from GW self-energy or from random phase approximation total energies,” J. Chem. Phys. 136:194107, 2012.Google Scholar
[564] , , and , “Excitons in boron nitride nanotubes: Dimensionality effects,” Phys. Rev. Lett. 96:12604, 2006.Google Scholar
[565] and , “Electron–hole excitations and optical spectra from first principles,” Phys. Rev. B 62:4927–4944, 2000.Google Scholar
[566] , , and , “Localization and delocalization errors in density functional theory and implications for band-gap prediction,” Phys. Rev. Lett. 100:146401, 2008.Google Scholar
[567] , , and , “Insights into current limitations of density functional theory,” Science 321:792–794, 2008.Google Scholar
[568] and , “Density-relaxation part of the self-energy,” Phys. Rev. Lett. 80:3161–3161, 1998.Google Scholar
[569] , , and , “Single-body methods in 3d transitionmetal atoms,” Phys. Rev. B 43:3994–4001, 1991.Google Scholar
[570] , , and , “Electronic and structural properties of sodium clusters,” Phys. Rev. B 31:1804–1816, 1985.Google Scholar
[571] , , , and , “Quasiparticle energies in small metal clusters,” Phys. Rev. B 40:3643–3646, 1989.Google Scholar
[572] , , and , “Strongly reduced band gap in a correlated insulator in close proximity to a metal,” Europhys. Lett. 40:177–182, 1997.Google Scholar
[573] , , and , “Controlling polarization at insulating surfaces: Quasiparticle calculations for molecules adsorbed on insulator films,” Phys. Rev. Lett. 103:056803, 2009.Google Scholar
[574] , , , and , “Polarization-induced renormalization of molecular levels at metallic and semiconducting surfaces,” Phys. Rev. B 80:245427, 2009.Google Scholar
[575] and , “Configuration interaction approach for the computation of the electronic self-energy,” Phys. Rev. B 75:205129, 2007.Google Scholar
[576] , , and , “Spectrum and term system of neutral nickel, Ni-I,” Physica Scripta 47:628–673, 1993.Google Scholar
[577] and , “Investigation of the electronic structure of Ni by angleresolved UV photoelectron spectroscopy,” Phys. Rev. B 30:3047–3054, 1984.Google Scholar
[578] , , , , , , , , , , , , , and , “Atomic correlations in itinerant ferromagnets: Quasi-particle bands of nickel,” Europhys. Lett. 61:667–673, 2003.Google Scholar
[579] , , and , “Quasiparticle self-consistent GW method applied to localized 4f electron systems,” Phys. Rev. B 76:165126, 2007.Google Scholar
[580] and , “Semi-conductors with partially and with completely filled 3d-lattice bands,” Proc. Phys. Soc. 49:59–71, 1937.Google Scholar
[581] , , , and , “Quasiparticle band structures of the antiferromagnetic transition-metal oxides MnO, FeO, CoO, and NiO,” Phys. Rev. B 79: 235114, 2009.Google Scholar
[582] , , and , “Ab-initio theory of semiconductor band structures: New developments and progress,” Phys. Stat. Sol. B 246: 1877–1892, 2009.Google Scholar
[583] , , , , , and , “Exchange interactions in NiO and at the NiO(100) surface,” Phys. Rev. B 66: 064434, 2002.Google Scholar
[584] , , , , , , , and , “Onset of magnetic order in strongly-correlated systems from ab initio electronic structure calculations: Application to transition metal oxides,” New J. Phys. 10: 063010, 2008.Google Scholar
[585] , “Oxides which show a metal-to-insulator transition at the Néel temperature,” Phys. Rev. Lett. 3: 34–36, 1959.Google Scholar
[586] , , and , “VO2: Peierls or Mott–Hubbard? A view from band theory,” Phys. Rev. Lett. 72: 3389–3392, 1994.Google Scholar
[587] , , , and , “Dynamical singlets and correlation-assisted Peierls transition in VO2,” Phys. Rev. Lett. 94: 026404, 2005.Google Scholar
[588] , “The two components of crystallographic transition in VO2,” J. Solid State Chem. 3: 490–500, 1971.Google Scholar
[589] , “The metal–insulator transitions of VO2: A band theoretical approach,” Ann. Phys. 11: 650–702, 2002.Google Scholar
[590] , , , , , , , , , , , and , “Transfer of spectral weight and symmetry across the metal–insulator transition in VO2,” Phys. Rev. Lett. 97: 116402, 2006.Google Scholar
[591] , , , , , , , , , , , and , “~8 keV photoemission of the metal–insulator transition system VO2,” New J. Phys. 11: 103015, 2009.Google Scholar
[592] , , , , and , “Electron energy-loss spectroscopy study of the metal–insulator transition in VO2,” Japanese J. Appl. Phys. 36: 165–169, 1997.Google Scholar
[593] , , and , “Effective bandstructure in the insulating phase versus strong dynamical correlations in metallic VO2,” Phys. Rev. B 78: 115103, 2008.Google Scholar
[594] and , “Accurate bulk properties from approximate many-body techniques,” Phys. Rev. Lett. 103: 056401, 2009.Google Scholar
[595] and , “Cohesive energy curves for noble gas solids calculated by adiabatic connection fluctuation–dissipation theory,” Phys. Rev. B 77: 045136, 2008.Google Scholar
[596] , , and , “First-principles description of correlation effects in layered materials,” Phys. Rev. Lett. 96: 136404, 2006.Google Scholar
[597] and , “Density-functional correction of random-phase-approximation correlation with results for jellium surface energies,” Phys. Rev. B 59: 10461–10468, 1999.Google Scholar
[598] , , , , , and , “Cohesive properties and asymptotics of the dispersion interaction in graphite by the random phase approximation,” Phys. Rev. Lett. 105: 196401, 2010.Google Scholar
[599] , , and , “Nature and strength of interlayer binding in graphite,” Phys. Rev. Lett. 103: 196401, 2009.Google Scholar
[600] , , and , “Asymptotics of the dispersion interaction: Analytic benchmarks for van der Waals energy functionals,” Phys. Rev. Lett. 96: 073201, 2006.Google Scholar
[601] , , and , “Generalized gradient approximation made simple,” Phys. Rev. Lett. 77: 3865–3868, 1996.Google Scholar
[602] , , and , “Fully self-consistent GW calculations for atoms and molecules,” Europhys. Lett. 76: 298–304, 2006.Google Scholar
[603] and , “Variational second-order Moller–Plesset theory based on the Luttinger–Ward functional,” J. Chem. Phys. 120: 6826–6831, 2004.Google Scholar
[604] , , , , and , “Many-body effects on the zero-point renormalization of the band structure,” Phys. Rev. Lett. 112: 215501, 2014.Google Scholar
[605] , , , and , “Impact of the electron–electron correlation on phonon dispersion: Failure of LDA and GGA DFT functionals in graphene and graphite,” Phys. Rev. B 78: 081406, 2008.Google Scholar
[606] , , and , “Application of the self-interaction correction to transition-metal oxides,” Phys. Rev. B 47: 4029–4032, 1993.Google Scholar
[607] , , , , and , “Density functional theory study of MnO by a hybrid functional approach,” Phys. Rev. B 72: 045132, 2005.Google Scholar
[608] , , , , and , “Finitetemperature quasiparticle self-consistent GW approximation,” Phys. Rev. B 74: 033101, 2006.Google Scholar
[609] , , and , “Quasiparticle properties of a simple metal at high electron temperatures,” Phys. Rev. B 66: 085116, 2002.Google Scholar
[610] , , and , “Self-consistently renormalized quasiparticles under the electron–phonon interaction,” Phys. Rev. B 79: 245103, 2009.Google Scholar
[612] , “Dielectric theory of elementary excitations in crystals,” Adv. Phys. 27: 287–341, 1978.Google Scholar
[613] and , “A relativistic equation for bound state problems,” Phys. Rev. 82: 309–310, 1951.Google Scholar
[615] and , “A relativistic equation for bound-state problems,” Phys. Rev. 84: 1232–1242, 1951.Google Scholar
[616] and , “Many-particle derivation of the effective-mass equation for the Wannier exciton,” Phys. Rev. 144: 708–714, 1966.Google Scholar
[617] and , Quantum Theory of the Electron Liquid, Cambridge University Press, Cambridge, 2005.Google Scholar
[618] and , “Electromagnetic properties of insulators. I,” Phys. Rev. 117: 423–431, 1960.Google Scholar
[619] , “Quantum theory of the dielectric constant in real solids,” Phys. Rev. 126: 413–420, 1962.Google Scholar
[620] , “Dielectric constant with local field effects included,” Phys. Rev. 129: 62–69, 1963.Google Scholar
[621] , , , , , , , and , “Anisotropy and interplane interactions in the dielectric response of graphite,” Phys. Rev. Lett. 89: 266406, 2002.Google Scholar
[622] , , and , “Optical absorption of insulators and the electron–hole interaction: An ab initio calculation,” Phys. Rev. Lett. 80: 4514–4517, 1998.Google Scholar
[623] , , and , “Comment on ‘self-consistent calculations of quasiparticle states in metals and semiconductors,’” Phys. Rev. Lett. 83: 241, 1999.Google Scholar
[625] , , , , , , and , “Double excitations in finite systems,” J. Chem. Phys. 130: 044108, 2009.Google Scholar
[626] , , and , “Density-functional calculation of sub-band structure in accumulation and inversion layers,” Phys. Rev. B 13: 3468–3477, 1976.Google Scholar
[627] and , “Systematic vertex corrections through iterative solution of Hedin's equations beyond the GWapproximation,” Phys. Rev. Lett. 80: 1702–1705, 1998.Google Scholar
[628] , , , and , “Compensation of dynamical quasiparticle and vertex corrections in optical spectra,” Phys. Rev. Lett. 78: 1528–1531, 1997.Google Scholar
[629] and R. Girlanda, “Optical properties of solids within the independentquasiparticle approximation: Dynamical effects,” Phys. Rev. B 54: 14376–14380, 1996.Google Scholar
[630] , , and , “Exciton-plasmon states in nanoscale materials: Breakdown of the Tamm–Dancoff approximation,” Nano Lett. 9: 2820–2824, 2009.Google Scholar
[631] , “Relativistic interaction of elementary particles,” J. Phys. (USSR) 9: 449, 1945.Google Scholar
[633] , , , and , “Ab initio calculation of excitonic effects in the optical spectra of semiconductors,” Phys. Rev. Lett. 80: 4510–4513, 1998.Google Scholar
[634] , , , and , “Beyond time-dependent exact exchange: The need for long-range correlation,” J. Chem. Phys. 124: 144113, 2006.Google Scholar
[635] , , , , and , “Excitonic effects on the optical response of graphene and bilayer graphene,” Phys. Rev. Lett. 103: 186802, 2009.Google Scholar
[636] , “The structure of electronic excitation levels in insulating crystals,” Phys. Rev. 52: 191–197, 1937.Google Scholar
[637] , “Conduction in polar crystals. II. The conduction band and ultra-violet absorption of alkali-halide crystals,” Trans. Faraday Soc. 34: 500, 1938.Google Scholar
[638] , “On the transformation of light into heat in solids. I,” Phys. Rev. 37: 17–44, 1931.Google Scholar
[639] and , “Exciton dispersion from first principles,” Phys. Rev. B 88: 155113, 2013.Google Scholar
[640] , , , and , “Ab initio theory of excitons and optical properties for spin-polarized systems: Application to antiferromagnetic MnO,” Phys. Rev. B 77: 184408, 2008.Google Scholar
[641] , , and , “Final-state rule vs the Bethe–Salpeter equation for deep-core X-ray absorption spectra,” Physica Scripta T115: 207–211, 2005.Google Scholar
[643] and , “Many-particle effects in the optical excitations of a semiconductor,” Phys. Rev. Lett. 43: 387–390, 1979.Google Scholar
[644] , , , , and , “Speeding up the solution of the Bethe–Salpeter equation by a double-grid method and Wannier interpolation,” Phys. Rev. B 86: 125203, 2012.Google Scholar
[645] , , , and , “Efficient O(N2) approach to solve the Bethe–Salpeter equation for excitonic bound states,” Phys. Rev. B 78: 085103, 2008.Google Scholar
[646] , , and , “Ab initio calculation of the quasiparticle spectrum and excitonic effects in Li2O,” Phys. Rev. B 55: 10278–10281, 1997.Google Scholar
[647] , “The recursive solution of the Schrodinger equation,” Comput. Phys. Commun. 20: 11–16, 1980.Google Scholar
[648] and , “Ab initio calculation of 2(ω) including the electron–hole interaction: Application to GaN and CaF2,” Phys. Rev. B 59: 5441–5451, 1999.Google Scholar
[649] , , , and , “Efficient O(N2) method to solve the Bethe–Salpeter equation,” Phys. Rev. B 67: 085307, 2003.Google Scholar
[650] , , and , “Ab initio calculations of optical absorption spectra: Solution of the Bethe–Salpeter equation within density matrix perturbation theory,” J. Chem. Phys. 133: 164109, 2010.Google Scholar
[651] , , and , “Theory of optical absorption in diamond, Si, Ge, and GaAs,” Phys. Rev. B 57:R9385–9387, 1998.
[652] and , “Ab initio many-body calculation of excitons in solid Ne and Ar,” Phys. Rev. B 72: 035127, 2005.Google Scholar
[653] , “Absorption spectrum of argon atom in vacuum-ultraviolet region,” J. Opt. Soc. Am. 60: 1220, 1970.Google Scholar
[654] , , and , “Short-range to long-range charge-transfer excitations in the zincbacteriochlorin–bacteriochlorin complex: A Bethe–Salpeter study,” Phys. Rev. Lett. 109: 167801, 2012.Google Scholar
[655] , , and , “Bound excitons in time-dependent density-functional theory: Optical and energy-loss spectra,” Phys. Rev. Lett. 91: 256402, 2003.Google Scholar
[656] , , , , , , , and , “Dynamical reconstruction of the exciton in LiF with inelastic X-ray scattering,” Proc. Natl. Acad. Sci. USA 105: 12159–12163, 2008.Google Scholar
[657] , , , , , , , and , “Nonresonant inelastic X-ray scattering and energy-resolved Wannier function investigation of d–d excitations in NiO and CoO,” Phys. Rev. Lett. 99: 026401, 2007.Google Scholar
[658] and , “Optical and energy-loss spectra of the antiferromagnetic transition metal oxides MnO, FeO, CoO, and NiO including quasiparticle and excitonic effects,” Phys. Rev. B 86: 235122, 2012.Google Scholar
[659] , , , and , “Structural and electronic properties of the (111)2x1 surface of Ge from first-principles calculations,” Phys. Rev. B 44: 13611–13617, 1991.Google Scholar
[660] , “New pi-bonded chain model for Si(111)-(2x1) surface,” Phys. Rev. Lett. 47: 1913–1917, 1981.Google Scholar
[661] , “Reconstruction of semiconductor surfaces: Buckling, ionicity, and pi-bonded chains,” Phys. Rev. Lett. 49: 223–226, 1982.Google Scholar
[662] , , , and , “Structural and optical properties of the Ge(111)-(2 x 1) surface,” Phys. Rev. Lett. 85: 5440–5443, 2000.Google Scholar
[663] and , “Screened Coulomb interaction at Si(111)2×1,” Phys. Rev. B 44: 12918–12926, 1991.Google Scholar
[664] , , , and , “Solid state effects on exciton states and optical properties of PPV,” Phys. Rev. Lett. 88: 206403, 2002.Google Scholar
[665] and , “Oligoacene exciton binding energies: Their dependence on molecular size,” Phys. Rev. B 71: 081202, 2005.Google Scholar
[666] , , , , and , “High accuracy manybody calculational approaches for excitations in molecules,” Phys. Rev. Lett. 86: 472–475, 2001.Google Scholar
[667] , , , , , , , and , “First-principles optical spectra for f centers in MgO,” Phys. Rev. Lett. 108: 126404, 2012.Google Scholar
[668] , , and , “Point-defect optical transitions and thermal ionization energies from quantum Monte Carlo methods: Application to the F-center defect in MgO,” Phys. Rev. B 87: 155210, 2013.Google Scholar
[669] and , “Dynamical excitonic effects in metals and semiconductors,” Phys. Rev. Lett. 91: 176402, 2003.Google Scholar
[670] , “Effective electron–hole interaction in shallow excitons,” J. Phys. Soc. Japan 29: 287, 1970.Google Scholar
[671] , , , , and , “Dynamical screening and self-energy of excitons in electron–hole plasma,” Phys. Stat. Sol. B 90: 175–187, 1978.Google Scholar
[672] , “Dynamical shift and broadening of core excitons in semiconductors,” Phys. Rev. Lett. 49: 1519–1522, 1982.Google Scholar
[673] , “Effects of dynamical screening on resonances at inner-shell thresholds in semiconductors,” Phys. Rev. B 29: 5718–5726, 1984.Google Scholar
[674] , , , and , “Double excitations in correlated systems: A many-body approach,” J. Chem. Phys. 134: 034115, 2011.Google Scholar
[675] , , , , , , , , and , “Correlation-induced double-plasmon excitation in simple metals studied by inelastic X-ray scattering,” Phys. Rev. Lett. 95: 157401, 2005.Google Scholar
[676] , , , , , , , , , and , “Electron-density dependence of double-plasmon excitations in simple metals,” Phys. Rev. B 77: 195125, 2008.Google Scholar
[677] , , , , and , “First principles t-matrix calculations for Auger spectra of hydrocarbon systems,” Phys. Rev. B 77: 035132, 2008.Google Scholar
[678] , , and , “Two-electron distribution functions and short-range electron correlations of atoms and molecules by first principles T-matrix calculations,” J. Chem. Phys. 125: 114108, 2006.Google Scholar
[679] and , “Green's function formalism for calculating spin-wave spectra,” Phys. Rev. B 60: 7419–7428, 1999.Google Scholar
[680] , , , , and , “Wannier-function approach to spin excitations in solids,” Phys. Rev. B 81: 054434, 2010.Google Scholar
[681] and , “Spin-wave excitation spectra of nickel and iron,” Phys. Rev. B 62: 3006–3009, 2000.Google Scholar
[682] , , and , “Electronic excitations: Density-functional versus many-body Green's-function approaches,” Rev. Mod. Phys. 74: 601–659, 2002.Google Scholar
[683] , , and , “The Kadanoff–Baym approach to double excitations in finite systems,” New J. Phys. 14: 013032, 2012.Google Scholar
[684] , , and , in Progress in Nonequilibrium Green's Functions III, Vol. 35 of Journal of Physics Conference Series, edited by and , IOP Publishing, Bristol, 2006, pp. 340–348.Google Scholar
[685] , “Second-order response Bethe–Salpeter equation,” Phys. Rev. A 83: 062122, 2011.Google Scholar
[686] , , and , “Real-time approach to the optical properties of solids and nanostructures: Time-dependent Bethe–Salpeter equation,” Phys. Rev. B 84: 245110, 2011.Google Scholar
[687] , , and , “Excitation energies from timedependent density-functional theory,” Phys. Rev. Lett. 76: 1212–1215, 1996.Google Scholar
[688] , , and , Density Functional Theory II, Vol. 181 of Topics in Current Chemistry, Springer-Verlag, Berlin, 1996, pp. 81–172.Google Scholar
[689] , in Recent Advances in Density Functional Methods I, edited by , World Scientific, Singapore, 1995, p. 155.Google Scholar
[690] , , and , “Long-range charge-transfer excited states in time-dependent density functional theory require non-local exchange,” J. Chem. Phys. 119: 2943–2946, 2003.Google Scholar
[691] , , and , “Time-dependent density-functional theory meets dynamical mean-field theory: Real-time dynamics for the 3d Hubbard model,” Phys. Rev. Lett. 106: 116401, 2011.Google Scholar
[692] , , and , “Magnetic phases near the Van Hove singularity in sand d-band Hubbard models,” Phys. Rev. B 56: 3159–3166, 1997.Google Scholar
[693] , , and , “Lifetimes of excited electrons in Fe and Ni: First-principles GW and the T-matrix theory,” Phys. Rev. Lett. 93: 096401, 2004.Google Scholar
[694] and , “Improved local-field corrections to the G(0)W approximation in jellium: Importance of consistency relations,” Phys. Rev. B 56: 12832–12839, 1997.Google Scholar
[695] , , and , “GWT approximation for electron self-energies in semiconductors and insulators,” Phys. Rev. B 49: 8024–8028, 1994.Google Scholar
[696] and , “Electron–electron interaction in simple metals,” Phys. Rev. B 20: 550–557, 1979.Google Scholar
[697] , , and , “Accurate quasiparticle spectra from selfconsistent GW calculations with vertex corrections,” Phys. Rev. Lett. 99: 246403, 2007.Google Scholar
[698] , , , and , “Ionization potentials of solids: The importance of vertex corrections,” Phys. Rev. Lett. 112: 096401, 2014.Google Scholar
[699] and , “Improved local-field corrections to the G0W approximation in jellium: Importance of consistency relations,” Phys. Rev. B 56: 12832–12839, 1997.Google Scholar
[700] and , “Electron linewidths of wide-gap insulators: Excitonic effects in LiF,” Phys. Rev. B 70: 081103, 2004.Google Scholar
[701] , “Self-consistent GW and higher-order calculations of electron states in metals,” Phys. Rev. B 54: 7758–7764, 1996.Google Scholar
[702] , , and , “First-order corrections to random-phase approximation GW calculations in silicon and diamond,” Phys. Rev. B 57: 11962–11973, 1998.Google Scholar
[703] , “The energy spectrum of a non-ideal Fermi gas,” Soviet Phys. JETP 7: 104–112, 1958.Google Scholar
[704] and , “Effect of a repulsive core in the theory of complex nuclei,” Proc. Roy. Soc. London, Ser. A 238: 551–567, 1957.Google Scholar
[705] , , and , “GW+T theory of excited electron lifetimes in metals,” Phys. Rev. B 72: 155109, 2005.Google Scholar
[706] and , “Multiple electron–hole scattering effect on quasiparticle properties in a homogeneous electron gas,” Phys. Rev. B 73: 165112, 2006.Google Scholar
[707] , , , , and , “Making the random phase approximation to electronic correlation accurate,” J. Chem. Phys. 131: 154115, 2009.Google Scholar
[708] and , “Conserving approximations for strongly fluctuating electron-systems. 1. Formalism and calculational approach,” Ann. Phys. 193: 206–251, 1989.Google Scholar
[709] , , and , “Conserving approximations for strongly correlated electron systems: Bethe–Salpeter equation and dynamics for the two-dimensional Hubbard model,” Phys. Rev. Lett. 62: 961–964, 1989.Google Scholar
[710] , “Ni d-band self-energy beyond the low-density limit,” Phys. Rev. B 23: 5203–5212, 1981.Google Scholar
[711] and , “LDA++ approach to the electronic structure of magnets: Correlation effects in iron,” J. Phys. Condens. Matter 11: 1037–1048, 1999.Google Scholar
[712] and , “Electronic structure and magnetic properties of correlated metals – A local self-consistent perturbation scheme,” Euro. Phys. J. B 30: 9–15, 2002.Google Scholar
[714] , , and , “Variational and perturbation theories made planar,” Phys. Lett. Phys. Rep. 86: 55–111, 1982.Google Scholar
[715] and , “Conserving approximations for strongly fluctuating electron systems. II. Numerical results and parquet extension,” Phys. Rev. B 43: 8044–8064, 1991.Google Scholar
[716] DMFT at 25: Infinite Dimensions: Lecture Notes of the Autumn School 2014, Forschungszentrum Juelich, edited by , , , and , Forschungszentrum Juelich GmbH and Institute for Advanced Simulations, Juelich, Germany, 2014.
[717] , “Three body problem in transition-metals – application to nickel,” J. Phys. Soc. Japan 52: 2827–2837, 1983.Google Scholar
[718] , “Three-body problem in the one-dimensional Hubbard-model,” J. Phys. Soc. Japan 54: 260–268, 1985.Google Scholar
[719] , , , and , “Local approach to electron correlations in ferromagnetic nickel,” Phys. Rev. B 49: 16181–16190, 1994.Google Scholar
[720] and , “Three-body scattering theory of correlated hole and electron states,” Phys. Rev. B 50: 2061–2074, 1994.Google Scholar
[721] , , and , “On-site correlation in valence and core states of ferromagnetic nickel,” Phys. Rev. B 56: 7149–7161, 1997.Google Scholar
[722] , , , , , and , “Correlation effects in the low-energy region of nickel photoemission spectra,” Phys. Rev. B 59:R10409– 10412, 1999.
[723] , , , , , , , and , “Quenching of majority-channel quasiparticle excitations in cobalt,” Phys. Rev. Lett. 88: 236402, 2002.Google Scholar
[724] , , and , “Role of electron–electron correlation in the valence states of YBa2Cu3O7: Low-energy excitations and Fermi surface,” Phys. Rev. B 64: 020507, 2001.Google Scholar
[725] , , and , “Correlation effects on the electronic properties of Bi2Sr2CaCu2O8,” J. Phys. Chem. Solids 67: 286–288, 2006.Google Scholar
[726] and , “Many-body effects in the electron spectroscopies of incompletely filled bands,” Nuovo Cimento D 9: 1–21, 1987.Google Scholar
[727] and , “Effective interactions for self-energy. I. Theory,” Phys. Rev. B 34: 7738–7742, 1986.Google Scholar
[728] and , “Variational solution of the T-matrix integral equation,” Phys. Rev. B 71: 115104, 2005.Google Scholar
[729] and , “Photoemission and Auger-spectra of incompletely filled bands – intermediate-coupling theory and application to palladium metal,” J. Phys. Condens. Matter 1: 7457–7470, 1989.Google Scholar
[730] , , , and , “Correlation and disorder effects in photoelectron and Auger spectra: The late transition metals and their alloys,” Phys. Rev. B 55: 16143–16158, 1997.Google Scholar
[731] , , and , “Beyond the GW approximation: Combining correlation channels,” Phys. Rev. B 85: 155131, 2012.Google Scholar
[732] and , “Photoemission and Auger CVV spectra of partially filled bands – a cluster approach,” Solid State Commun. 57: 657–660, 1986.Google Scholar
[733] , , and , “Kadanoff–Baym dynamics of Hubbard clusters: Performance of many-body schemes, correlation-induced damping and multiple steady and quasi-steady states,” Phys. Rev. B 82: 155108, 2010.CrossRefGoogle Scholar
[734] , , , , and , “Theoretical study of quasiparticle inelastic lifetimes as applied to aluminum,” Phys. Rev. B 78: 085113, 2008.Google Scholar
[735] , “Effect of bound hole pairs on the d-band photoemission spectrum of Ni,” Phys. Rev. Lett. 42: 921–925, 1979.Google Scholar
[736] , “Effect of self-energy corrections on the valence-band photoemission spectra of Ni,” Phys. Rev. Lett. 43: 1431–1434, 1979.Google Scholar
[737] , “Theory of Auger-XVV spectra of solids – many-body effects in incompletely filled bands,” Surface Sci. 87: 483–500, 1979.Google Scholar
[738] , , and , “Experimental energy-band dispersions and exchange splitting for Ni,” Phys. Rev. B 19: 2919–2927, 1979.Google Scholar
[739] , “Generalized cumulant expansion method,” J. Phys. Soc. Japan 17: 1100–1120, 1962.Google Scholar
[740] , , and , “Corrections to Migdal's theorem for spectral functions: A cumulant treatment of the time-dependent Green's function,” Phys. Rev. B 50: 10462–10473, 1994.Google Scholar
[741] and , “Singularities in the X-ray absorption and emission of metals. III. One-body theory exact solution,” Phys. Rev. 178: 1097–1107, 1969.Google Scholar
[742] , “On the theory of plasmon satellite structures in the photoelectron-spectra of non-metallic solids. 1. Soluble model,” Phys. Stat. Sol. B 101: 275–286, 1980.Google Scholar
[743] , “Electronic relaxation effects in core level spectra of solids,” Phys. Stat. Sol. B 112: 9–49, 1982.Google Scholar
[744] , , and , “Theory of core excitons in semiconductors,” Phys. Stat. Sol. B 99: 61–70, 1980.Google Scholar
[745] , “Effects of recoil on shake-up spectra in metals,” Physica Scripta 21: 477–480, 1980.Google Scholar
[746] , , and , “Multiple plasmon satellites in Na and Al spectral functions from ab initio cumulant expansion,” Phys. Rev. Lett. 77: 2268–2271, 1996.Google Scholar
[747] , , , , , , , , , and , “Multiple satellites in materials with complex plasmon spectra: From graphite to graphene,” Phys. Rev. B 89: 085425, 2014.Google Scholar
[748] and , “Self-consistent cumulant expansion for the electron gas,” Phys. Rev. B 56: 12825–12831, 1997.Google Scholar
[749] and , “Spurious structure from approximations to Dyson equation,” Can. J. Phys. 50:2286+, 1972.
[750] , , and , “Single-particle Green's function in electron– plasmon approximation,” Can. J. Phys. 51: 102–110, 1973.Google Scholar
[751] , , , , , and , “Quantitative measurement of the spectral function of aluminum and lithium by electron momentum spectroscopy,” Phys. Rev. B 66: 155414, 2002.Google Scholar
[752] , , and , “Physical origin of satellites in photoemission of doped graphene: An ab initio GW plus cumulant study,” Phys. Rev. Lett. 110: 146801, 2013.Google Scholar
[753] , , , and , “Electron correlation effects in the spectral momentum density of graphite,” Phys. Rev. B 63: 033108, 2001.Google Scholar
[754] , , and , “Cumulant expansion of the retarded one-electron Green function,” Phys. Rev. B 90: 085112, 2014.Google Scholar
[755] , , , , and , “Cumulant expansion for phonon contributions to the electron spectral function,” Phys. Rev. B 90: 195135, 2014.Google Scholar
[756] and , “High cost of consistency in Green's-function expansions,” Phys. Rev. A 36: 2517–2518, 1987.Google Scholar
[757] , , , and , “Diagrammatic expansion for positive spectral functions beyond GW: Application to vertex corrections in the electron gas,” Phys. Rev. B 90: 115134, 2014.Google Scholar
[760] , “Inclusion of vertex corrections in the self-consistent calculation of quasiparticles in metals,” Phys. Rev. Lett. 87, 2001.
[761] and , “Density matrix embedding: A strong-coupling quantum embedding theory,” J. Chem. Theory Comput. 9: 1428–1432, 2013.Google Scholar
[762] and , “Analytic calculation of ground-state properties of correlated fermions with the Gutzwiller wave function,” Phys. Rev. B 37: 7382–7399, 1988.Google Scholar
[763] and , “Correlated lattice fermions in d = ∞ dimensions,” Phys. Rev. Lett. 62: 324–327, 1989.Google Scholar
[764] , “Correlated fermions on a lattice in high dimensions,” Z. Phys. B 74: 507–512, 1989.Google Scholar
[765] and , “Thermodynamics and correlation functions of the Falicov– Kimball model in large dimensions,” Z. Phys. B: Condens. Matter 75: 365–370, 1989.Google Scholar
[766] , “A new construction of thermodynamic mean-field theories of itinerant fermions: Application to the Falicov–Kimball model,” Z. Phys. B: Condens. Matter 83: 227–235, 1992.Google Scholar
[768] , “Hubbard model in infinite dimensions: A quantum Monte Carlo study,” Phys. Rev. Lett. 69: 168–171, 1992.Google Scholar
[769] and , “Absence of ferromagnetism or antiferromagnetism in oneor two-dimensional isotropic Heisenberg models,” Phys. Rev. Lett. 17: 1133–1136, 1966.Google Scholar
[770] , “Electron correlations and many-body techniques in magnetism,” Adv. Phys. 53: 497–536, 2004.Google Scholar
[772] and , “Free energy of the Falicov–Kimball model in large dimensions,” Z. Phys. B: Condens. Matter 82: 37–41, 1991.Google Scholar
[773] , , and , “Mott transition in one dimension: Benchmarking dynamical cluster approaches,” Phys. Rev. B 77: 045133, 2008.Google Scholar
[774] , “Density matrix formulation for quantum renormalization groups,” Phys. Rev. Lett. 69: 2863–2866, 1992.Google Scholar
[775] and , “Ab initio quantum chemistry using the density matrix renormalization group,” J. Chem. Phys. 110: 4127–4130, 1999.Google Scholar
[776] , , , , , and , “The ab-initio density matrix renormalization group in practice,” J. Chem. Phys. 142: 034102, 2015.Google Scholar
[777] and , “Density matrix embedding: A simple alternative to dynamical mean-field theory,” Phys. Rev. Lett. 109: 186404, 2012.Google Scholar
[778] , , and , “Mott transition in the d =∞Hubbard model at zero temperature,” Phys. Rev. Lett. 70: 1666–1669, 1993.Google Scholar
[779] and , “Quantum Monte Carlo calculation of the finite temperature Mott– Hubbard transition,” Phys. Rev. B 64: 193102, 2001.Google Scholar
[780] and , “Doping-driven Mott transition in the one-band Hubbard model,” Phys. Rev. B 75: 085108, 2007.Google Scholar
[781] , , , and , “Mott transition and Kondo screening in f-electron metals,” Phys. Rev. Lett. 95: 066402, 2005.Google Scholar
[782] , , and , “Stability of a metallic state in the two-orbital Hubbard model,” Phys. Rev. B 66: 165107, 2002.Google Scholar
[783] and , “High-spin to low-spin and orbital polarization transitions in multiorbital Mott systems,” Phys. Rev. Lett. 99: 126405, 2007.Google Scholar
[784] , , and , “Mott transition in degenerate Hubbard models: Application to doped fullerenes,” Phys. Rev. B 54:R11026–11029, 1996.
[785] The LDA+DMFT Approach to Strongly Correlated Materials: Lecture Notes of the Autumn School 2011, Forschungszentrum Juelich, edited by , , , and , Forschungszentrum Juelich GmbH and Institute for Advanced Simulations, Juelich, Germany, 2011.
[786] Corrrelated Electrons: Models to Materials: Lecture Notes of the Autumn School 2012, Forschungszentrum Juelich, edited by , , , and , Forschungszentrum Juelich GmbH and Institute for Advanced Simulations, Juelich, Germany, 2012.
[787] and , “Strongly correlated materials: Insights from dynamical meanfield theory,” Phys. Today March 53–59, 2004.Google Scholar
[788] , “Electronic structure calculations using dynamical mean field theory,” Adv. Phys. 56: 829–926, 2007.Google Scholar
[789] and , Springer Series in Solid-State Sciences, Vol. 163, Electronic Structure of Strongly Correlated Materials, Springer-Verlag, Berlin, 2010.Google Scholar
[790] Springer Series in Solid-State Sciences, Vol. 171, Strongly Correlated Systems: Theoretical methods, edited by and , Springer-Verlag, Berlin, 2012.
[791] , Transport in Multilayered Nanostructures: The Dynamical Mean-field Theory Approach, World Scientific, Singapore, 2006.Google Scholar
[792] , “Analytic properties of the coherent potential approximation and of its molecular generalizations,” J. Phys. C 7: 1795–1816, 1974.Google Scholar
[793] , in Studies in Mathematical Physics, Vol. 4, edited by and , North Holland, Amsterdam, 1992.Google Scholar
[794] , “Formal structure of the cluster variation method,” Prog. Theor. Phys. Suppl. 15: 27–39, 1994.Google Scholar
[795] , , , and , “Improved finite-lattice method for estimating the zero-temperature properties of two-dimensional lattice models,” Can. J. Phys. 74: 54–64, 1996.Google Scholar
[796] , , , and , “Cellular dynamical mean field approach to strongly correlated systems,” Phys. Rev. Lett. 87: 186401–186404, 2001.Google Scholar
[797] and , “Cluster methods for strongly correlated electron systems,” Phys. Rev. B 65: 155112–155116, 2002.Google Scholar
[798] , , and , “Cluster dynamical mean-field theories: Causality and classical limit,” Phys. Rev. B 69: 205108, 2004.Google Scholar
[799] , “A new method for the electronic structure of random lattice – the coexistence of the local and the band character,” J. Phys. Soc. Japan 26: 684–696, 1969.Google Scholar
[800] , , and , “Cluster perturbation theory for Hubbard models,” Phys. Rev. B 66: 075129, 2002.Google Scholar
[801] , , , , and , “Dynamical cluster approximation: Nonlocal dynamics of correlated electron systems,” Phys. Rev. B 61: 12739–12742, 2000.Google Scholar
[802] and , “Systematic and causal corrections to the coherent potential approximation,” Phys. Rev. B 63: 125102–125131, 2001.Google Scholar
[803] , , and , “Korringa–Kohn–Rostoker nonlocal coherent-potential approximation,” Phys. Rev. B 67: 115109, 2003.Google Scholar
[804] et al., “Systematic, multisite short-range-order corrections to the electronic structure of disordered alloys from first principles: The KKR nonlocal CPA from the dynamical cluster approximation,” Phys. Rev. B 72: 113105, 2005.Google Scholar
[805] , “A new method of interpolation and smooth curve fitting based on local procedures,” J. ACM 17: 589–602, 1970.Google Scholar
[806] , , and , “Variational cluster approach to correlated electron systems in low dimensions,” Phys. Rev. Lett. 91: 206402, 2003.Google Scholar
[807] , “From cluster to solid: Variational cluster approximation applied to NiO,” Phys. Rev. B 76: 241103, 2007.Google Scholar
[808] and , “Systematic 1/d corrections to the infinite-dimensional limit of correlated lattice electron models,” Phys. Rev. Lett. 75: 113–116, 1995.Google Scholar
[809] and , “Spatial correlations in dynamical mean-field theory,” Phys. Rev. B 61: 5184–5193, 2000.Google Scholar
[810] and , “Extended dynamical mean-field theory and GW method,” Phys. Rev. B 66: 085120, 2002.Google Scholar
[811] , , and , “Dual boson approach to collective excitations in correlated fermionic systems,” Ann. Phys. 327: 1320–1335, 2012.Google Scholar
[812] , , and , “Sum rules and bath parametrization for quantum cluster theories,” Phys. Rev. B 78: 115102, 2008.Google Scholar
[813] and , “Properties of the one-dimensional Hubbard model: Cellular dynamical mean-field description,” J. Phys.: Condens. Matter 21: 485602, 2009.Google Scholar
[814] and , “Absence of a Slater transition in the two-dimensional Hubbard model,” Phys. Rev. Lett. 87: 167010, 2001.Google Scholar
[815] , , and , “Cluster dynamical mean field theory of the Mott transition,” Phys. Rev. Lett. 101: 186403, 2008.Google Scholar
[816] , , , , and , “Momentum-space anisotropy and pseudogaps: A comparative cluster dynamical mean-field analysis of the doping-driven metal–insulator transition in the two-dimensional Hubbard model,” Phys. Rev. B 82: 155101, 2010.Google Scholar
[817] , , and , “Physics of the pseudogap in eight-site cluster dynamical mean-field theory: Photoemission, Raman scattering, and in-plane and c-axis conductivity,” Phys. Rev. B 82: 045104, 2010.Google Scholar
[818] , , , , and , “Antiferromagnetism and the gap of a Mott insulator: Results from analytic continuation of the self-energy,” Phys. Rev. B 80: 045101, 2009.Google Scholar
[819] , , , , and , “Systematic study of d-wave superconductivity in the 2D repulsive Hubbard model,” Phys. Rev. Lett. 95: 237001, 2005.Google Scholar
[820] and , “Energetics of superconductivity in the two-dimensional Hubbard model,” Phys. Rev. B 86: 241106, 2012.Google Scholar
[821] , , , , , , and , “How to detect fluctuating stripes in the high-temperature superconductors,” Rev. Mod. Phys. 75: 1201–1241, 2003.Google Scholar
[822] , , , and , “Efficient calculation of the antiferromagnetic phase diagram of the three-dimensional Hubbard model,” Phys. Rev. B 72: 060411, 2005.Google Scholar
[823] , , and , “Phase diagram of the three-dimensional Hubbard model at half filling,” Euro. J. Phys. B 17: 411–415, 2000.Google Scholar
[824] , , , , and , “Fermions in 3D optical lattices: Cooling protocol to obtain antiferromagnetism,” Phys. Rev. Lett. 107: 086401, 2011.Google Scholar
[825] , , , , and , “Antiferromagnetic order of strongly interacting fermions in a trap: Real-space dynamical mean-field analysis,” New J. Phys. 10: 093008, 2008.Google Scholar
[826] , , , , and , “Spectral properties of the threedimensional Hubbard model,” Phys. Rev. B 83: 235113, 2011.Google Scholar
[829] and , “Exact diagonalization methods for quantum systems,” Comput. Phys. 7: 7400–407, 1993.Google Scholar
[830] , , , and , “Correlation functions of the antiferromagnetic Heisenberg model using a modified Lanczos method,” Phys. Rev. B 34: 1677–1682, 1986.Google Scholar
[831] and , “Dynamical properties of quantum many-body systems at zero temperature,” Phys. Rev. Lett. 59: 2999–3002, 1987.Google Scholar
[832] , , , and , “Correlation induced insulator to metal transitions,” Phys. Rev. Lett. 72: 2761–2764, 1994.Google Scholar
[833] and , “Exact diagonalization approach to correlated fermions in infinite dimensions: Mott transition and superconductivity,” Phys. Rev. Lett. 72: 1545–1548, 1994.Google Scholar
[836] and , “Dynamical mean-field theory from a quantum chemical perspective,” J. Chem. Phys. 134: 094115, 2011.Google Scholar
[837] , , and , “Truncated configuration interaction expansions as solvers for correlated quantum impurity models and dynamical mean-field theory,” Phys. Rev. B 86: 165128, 2012.Google Scholar
[838] and , “Efficient variational approach to the impurity problem and its application to the dynamical mean-field theory,” Phys. Rev. B 88: 035123, 2013.Google Scholar
[839] , , , and , “Efficient real-frequency solver for dynamical mean-field theory,” Phys. Rev. B 90: 085102, 2014.Google Scholar
[840] , , , and , “Dynamical mean-field theory for quantum chemistry,” Phys. Rev. Lett. 106: 096402, 2011.Google Scholar
[841] , Statistical Mechanics: A Set of Lectures, Benjamin/Cummings, Reading, MA, 1970.Google Scholar
[842] and , Quantum Many-Particle Systems (Advanced Book Classics, originally published in 1988 by Westview Press, Boulder, CO), Addison-Wesley, Reading, MA, 1995.Google Scholar
[843] , , , , , and , “Continuous-time Monte Carlo methods for quantum impurity models,” Rev. Mod. Phys. 83: 349–404, 2011.Google Scholar
[844] and , “Monte Carlo method for magnetic impurities in metals,” Phys. Rev. Lett. 56: 2521–2524, 1986.Google Scholar
[845] and , “Monte Carlo study of the symmetric Anderson-impurity model,” Phys. Rev. B 38: 433–441, 1988.Google Scholar
[846] , , and , “Monte Carlo calculations of coupled boson–fermion systems. I,” Phys. Rev. D 24: 2278–2286, 1981.Google Scholar
[847] , “Discrete Hubbard–Stratonovich transformation for fermion lattice models,” Phys. Rev. B 28: 4059–4061, 1983.Google Scholar
[848] , , and , “Quasi-continuous-time impurity solver for the dynamical mean-field theory with linear scaling in the inverse temperature,” Phys. Rev. E 87: 053305, 2013.Google Scholar
[849] , , , , and , “On the sign problem in the Hirsch–Fye algorithm for impurity problems,” J. Phys. A: Math. Gen. 38: 10307–10310, 2005.Google Scholar
[850] , “The Monte Carlo method in quantum statistical mechanics,” Math. Proc. Cambridge Philos. Soc. 58: 594–598, 1962.Google Scholar
[851] , “A rigorous lower bound for the efficiency of Monte Carlo techniques,” Math. Proc. Cambridge Philos. Soc. 60: 357–358, 1964.Google Scholar
[852] , “Quantum-statistical Monte Carlo method for Heisenberg spins,” Phys. Rev. Lett. 49: 88–90, 1982.Google Scholar
[853] , “Monte Carlo calculations of the ground state of three- and four-body nuclei,” Phys. Rev. 128: 1791, 1962.Google Scholar
[854] , , and , “Exact quantum Monte Carlo process for the statistics of discrete systems (translation: JETP Lett. 64: 911, 1996),” Pis'ma Zh. Eksp. Teor. Fiz. 64: 853, 1996.Google Scholar
[855] , , and , “Quantum Monte Carlo method for fermions, free of discretization errors,” Phys. Rev. Lett. 82: 4155–4159, 1999.Google Scholar
[856] , , and , “Continuous-time quantum Monte Carlo method for fermions,” Phys. Rev. B 72: 035122, 2005.Google Scholar
[857] , , , , and , “Continuous-time solver for quantum impurity models,” Phys. Rev. Lett. 97: 076405, 2006.Google Scholar
[858] , “Quantum Monte Carlo impurity solver for cluster dynamical mean-field theory and electronic structure calculations with adjustable cluster base,” Phys. Rev. B 75: 155113, 2007.Google Scholar
[859] , , , and , “Continuous-time auxiliary-field Monte Carlo for quantum impurity models,” Europhysics Lett. 82: 57003, 2008.Google Scholar
[860] , , and , “Relationship between Hirsch–Fye and weak-coupling diagrammatic quantum Monte Carlo methods,” Phys. Rev. E 79: 057701, 2009.Google Scholar
[861] , , , and , “Performance analysis of continuous-time solvers for quantum impurity models,” Phys. Rev. B 76: 235123, 2007.Google Scholar
[862] and , “Efficient dynamical mean field simulation of the Holstein– Hubbard model,” Phys. Rev. Lett. 99: 146404, 2007.Google Scholar
[863] and , “Dynamical screening in correlated electron materials,” Phys. Rev. Lett. 104: 146401, 2010.Google Scholar
[864] and , “Diagrammatic determinantal quantum Monte Carlo methods: Projective schemes and applications to the Hubbard–Holstein model,” Phys. Rev. B 76: 035116, 2007.Google Scholar
[865] and , “Electronic structure and effects of dynamical electron correlation in ferromagnetic bcc Fe, fcc Ni, and antiferromagnetic NiO,” Phys. Rev. B 77: 195124, 2008.Google Scholar
[866] and , “Perturbation technique for the Anderson hamiltonian,” Phys. Rev. Lett. 25: 672–675, 1970.Google Scholar
[867] , “Review of techniques in the large-n expansion for dilute magnetic alloys,” Rev. Mod. Phys. 59: 845–939, 1987.Google Scholar
[868] , , , and , “The α-γ transition in Ce: A theoretical view from optical spectroscopy,” Phys. Rev. Lett. 94: 036401, 2005.Google Scholar
[869] , , and , “Dynamical properties of the Anderson impurity model within a diagrammatic pseudoparticle approach,” Phys. Rev. B 70: 165102, 2004.Google Scholar
[870] , , and , “Dynamical mean field theory with the density matrix renormalization group,” Phys. Rev. Lett. 93: 246403, 2004.Google Scholar
[871] , , and , “Dynamical mean-field theory calculation with the dynamical density-matrix renormalization group,” Physica B: Condens. Matter 378–380: 283–285, 2006.Google Scholar
[872] , , and , “Numerical renormalization group method for quantum impurity systems,” Rev. Mod. Phys. 80: 395–450, 2008.Google Scholar
[873] , “Models of exchange coupling in ferromagnetic media,” Rev. Mod. Phys. 25: 220–227, 1953.Google Scholar
[874] and , “Nature of the 5f states in actinide metals,” Rev. Mod. Phys. 81: 235–298, 2009.Google Scholar
[875] and , “Discussion of the paper by de Boer and Verwey,” Proc.Phys. Soc. 49: 72, 1937.Google Scholar
[877] , “Why are insulators insulating and metals conducting?” J. Phys.: Condens. Matter 14:R625–656, 2002.
[878] , “Electronic structure of the 3d transition-metal monoxides. I. Energy-band results,” Phys. Rev. B 5: 290–306, 1972.Google Scholar
[879] , “Electronic structure of the 3d transition-metal monoxides. II. Interpretation,” Phys. Rev. B 5: 306–315, 1972.Google Scholar
[880] , “Valence strength and the magnetism of complex salts,” J. Chem. Phys. 3: 807–813, 1935.Google Scholar
[881] , The Crystal Field Theory. Chemical Applications of Group Theory, 3rd Ed., Wiley, New York, 1990.Google Scholar
[884] , , , , , , , and , “Mott transition, antiferromagnetism, and unconventional superconductivity in layered organic superconductors,” Phys. Rev. Lett. 85: 5420–5423, 2000.Google Scholar
[885] and , “Mott physics in organic conductors with triangular lattices,” Ann. Rev. Condens. Matter Phys. 2: 167–188, 2011.Google Scholar
[886] , “Similarities between organic and cuprate superconductors,” Science 278: 820–821, 1997.Google Scholar
[887] , , and , “Band gaps and electronic structure of transitionmetal compounds,” Phys. Rev. Lett. 55: 418–421, 1985.Google Scholar
[888] , Electron Correlation in Molecules and Solids, 3nd Ed., Springer-Verlag, Berlin, 2003.Google Scholar
[889] The Theory of Transition-Metal Ions, edited by , Cambridge University Press, Cambridge, 1961.
[891] , , , , , and , “Mott transition and suppression of orbital fluctuations in orthorhombic 3d1 perovskites,” Phys. Rev. Lett. 92: 176403, 2004.Google Scholar
[892] and , “Maximally localized generalized Wannier functions for composite energy bands,” Phys. Rev. B 56: 12847–12865, 1997.Google Scholar
[893] and , “Localized atomic and molecular orbitals,” Rev. Mod. Phys. 35: 457–464, 1963.Google Scholar
[894] , , and , “Maximally localized Wannier functions for entangled energy bands,” Phys. Rev. B 65: 035109, 2002.Google Scholar
[895] , , and , “Calculated effective hamiltonian for La2CuO4 and solution in the impurity Anderson approximation,” Phys. Rev. B 38: 6650, 1988.Google Scholar
[896] , , and , “Single-electron energies, many-electron effects, and the renormalized-atom scheme as applied to rare-earth metals,” Phys. Rev. B 6: 1913–1924, 1972.Google Scholar
[897] , , and , “Relativistic calculations of 4f excitation energies in the rare-earth metals: Further results,” Phys. Rev. B 17: 3089–3098, 1978.Google Scholar
[898] , , , and , “Ground states of constrained systems: Application to cerium impurities,” Phys. Rev. Lett. 53: 2512–2515, 1984.Google Scholar
[899] , , , and , “Density-functional calculation of the parameters in the Anderson model: Application to Mn in CdTe,” Phys. Rev. B 39: 1708–1722, 1989.Google Scholar
[900] , “Calculation of parameters in model hamiltonians,” Phys. Rev. B 41:514– 518, 1990.
[901] and , “Density-functional calculation of effective Coulomb interactions in metals,” Phys. Rev. B 43: 7570–7574, 1991.Google Scholar
[902] , , and , “Band theory and Mott insulators: Hubbard U instead of Stoner I,” Phys. Rev. B 44: 943–954, 1991.Google Scholar
[903] and , “Linear response approach to the calculation of the effective interaction parameters in the LDA+U method,” Phys. Rev. B 71: 035105, 2005.Google Scholar
[904] , , and , “Reformulation of the LDA+U method for a local-orbital basis,” Phys. Rev. B 58: 1201–1209, 1998.Google Scholar
[905] and , “Calculation of Coulomb interaction strengths for 3d transition metals and actinides,” Phys. Rev. B 39: 3517–3521, 1989.Google Scholar
[906] , , and , “Method for calculating the electronic structure of correlated materials from a truly first-principles LDA+U scheme,” Phys. Rev. B 81: 245113, 2010.Google Scholar
[907] , , , and , “First-principles modeling of localized d states with the GW@LDA+U approach,” Phys. Rev. B 82: 045108, 2010.Google Scholar
[908] , , and , “Calculation of Coulomb interaction parameters for La2CuO4 using a constrained-density-functional approach,” Phys. Rev. B 39: 9028, 1989.Google Scholar
[909] , , and , “Cuprate parameters from numerical Wannier functions.” Phys. Rev. B 42: 6268, 1990.Google Scholar
[910] , , , and , “Derivation of a one-band Hubbard model for CuO planar materials.” Phys. Rev. B 44: 7504, 1991.Google Scholar
[911] , , , , , and , “Double counting in LDA+DMFT – the example of NiO,” J. Electron Spectrosc. Relat. Phenom. 181: 11–15, 2010.Google Scholar
[912] and , “Local-density functional and on-site correlations: The electronic structure of La2CuO4 and LaCuO3,” Phys. Rev. B 49: 14211–14228, 1994.Google Scholar
[913] , , and , “Charge fluctuations and the valence transition in Yb under pressure,” Phys. Rev. Lett. 102: 246401, 2009.Google Scholar
[914] and , “Localization in the self-interaction-corrected densityfunctional formalism,” Phys Rev. B 37: 9919, 1988.Google Scholar
[915] and , “Transition-metal oxides in the self-interaction-corrected density functional formalism,” Phys Rev. Lett. 65: 1148–1151, 1990.Google Scholar
[919] , “The electronic structure of magnetic transition metallic materials,” Rep. Prog. Phys. 57: 1289, 1994.Google Scholar
[920] , , , , and , “The ‘disordered local moment’ picture of itinerant magnetism at finite temperatures,” J. Magn. Magn. Mater. 45: 15–22, 1984.Google Scholar
[921] , , , , and , “A first-principles theory of ferromagnetic phase transitions in metals,” J. Phys. F: Met. Phys. 15: 1337, 1985.Google Scholar
[922] , , and , “Multiband Gutzwiller wave functions for general on-site interactions,” Phys. Rev. B 57: 6896–6916, 1998.Google Scholar
[923] , , and , “Gutzwiller-correlated wave functions for degenerate bands: Exact results in infinite dimensions,” J. Phys.: Condens. Matter 9: 7343, 1997.Google Scholar
[924] , F. Gebhard, T. Ohm, S. Weiser, and W. Weber, “Spin–orbit coupling in ferromagnetic nickel,” Phys. Rev. Lett. 101: 236404, 2008.Google Scholar
[925] , , and , “Gutzwiller density functional theory for correlated electron systems,” Phys. Rev. B 77: 073101, 2008.Google Scholar
[926] , , , and , “Local density approximation combined with Gutzwiller method for correlated electron systems: Formalism and applications,” Phys. Rev. B 79: 075114, 2009.Google Scholar
[927] , , , , , , and , “Multiorbital Kondo physics of Co in Cu hosts,” Phys. Rev. B 85: 085114, 2012.Google Scholar
[928] Jr. and , Handbook on the Physics and Chemistry of Rare Earths, North-Holland, Amsterdam, 1978.Google Scholar
[929] , , and , “Study of the 4f and valence band density of states in rare-earth metals. II. Experiment and results,” J. Phys. F: Met. Phys. 11: 121–138, 1981.Google Scholar
[930] , , , , and , “Role of atomic multiplets in the electronic structure of rare-earth semiconductors and semimetals,” Phys. Rev. Lett. 102: 096401, 2009.Google Scholar
[931] , , , , , and , “Thermal signatures of the Kondo volume collapse in cerium,” Phys. Rev. Lett. 101: 165703, 2008.Google Scholar
[932] , , , , and , “Two critical points on the gamma–alpha phase boundary of cerium alloys,” Phys. Rev. Lett. 50: 1081–1084, 1983.Google Scholar
[933] , , , , , , and , “Electronic structure of Ce and light rare earth intermetallics,” Adv. Phys. 35: 275–316, 1986.Google Scholar
[934] , “The compressibility and pressure coefficient of resistance of ten elements,” Proc. Am. Acad. Arts Sci. 62, 1927.
[935] , “Atomic radii and interatomic distances in metals,” J. Am. Chem. Soc. 69: 542, 1947.Google Scholar
[936] and , “Concerning the high pressure allotropic modification of cerium,” Phys. Rev. 76: 301–302, 1949.Google Scholar
[937] , , and , “Cerium volume collapse: Results from the merger of dynamical mean-field theory and local density approximation,” Phys. Rev. Lett. 87: 276404, 2001.Google Scholar
[938] , , and , “Thermodynamic and spectral properties of compressed Ce calculated using a combined local-density approximation and dynamical mean-field theory,” Phys. Rev. B 67: 075108, 2003.Google Scholar
[939] , , and , “Dynamical mean-field theory within the full-potential methods: Electronic structure of CeIrIn5, CeCoIn5, and CeRhIn5,” Phys. Rev. B 81: 195107, 2010.Google Scholar
[940] , “The α–γ transition in cerium is a Mott transition,” Phil. Mag. 30: 469–482, 1974.Google Scholar
[941] , , , , and , “Calculated phase diagram for the γ ⇌ α transition in Ce,” Phys. Rev. Lett. 74: 2335–2338, 1995.Google Scholar
[942] and , “Kondo volume collapse and the gamma to alpha transition in cerium,” Phys. Rev. Lett. 49: 1106–1110, 1982.Google Scholar
[943] , , and , “Volume collapse in the Kondo lattice,” Phys. Lett. A 90: 210–212, 1982.Google Scholar
[944] and , “Alpha–gamma transition in Ce. II. A detailed analysis of the Kondo volume-collapse model,” Phys. Rev. B 46: 5047–5054, 1992.Google Scholar
[945] , , , , and , “Density-functional theory for f -electron systems: The α–γ phase transition in cerium,” Phys. Rev. Lett. 109: 146402, 2012.Google Scholar
[946] , , and , “Self-energy and spectral function of Ce within the GW approximation,” Phys. Rev. B 86: 245126, 2012.Google Scholar
[947] , , , , and , “Spectral and magnetic properties of α- and γ -Ce from dynamical mean-field theory and local density approximation,” Phys. Rev. Lett. 87: 276403, 2001.Google Scholar
[948] , , , and , “The alpha–gamma transition of cerium is entropy driven,” Phys. Rev. Lett. 96: 066402, 2006.Google Scholar
[949] , , , , and , “Temperature-dependent Fermi surface evolution in heavy fermion CeIrIn5,” Phys. Rev. Lett. 108: 016402, 2012.Google Scholar
[951] , , and , “Magnetic and semiconducting properties of SmB6,” Phys. Rev. Lett. 22: 295–298, 1969.Google Scholar
[952] and , “Theory of mixed valence: Metals or small gap insulators,” J. Appl. Phys. 50: 7561–7566, 1979.Google Scholar
[953] , , and , “Electronic structure of mixed-valence semiconductors in the LSDA+U approximation. II. SmB6 and YbB12,” Phys. Rev. B 66: 165209, 2002.Google Scholar
[955] et al., “Low-temperature surface conduction in the Kondo insulator SmB6,” Phys. Rev. B 88: 180405, 2013.Google Scholar
[956] , , and , “Fluctuating valence in a correlated solid and the anomalous properties of delta-plutonium,” Nature 446: 513–516, 2007.Google Scholar
[957] , , , , , and , “Multiple-scattering formalism for correlated systems: A KKR-DMFT approach,” Phys. Rev. B 72: 045125, 2005.Google Scholar
[958] , , , , , , , , , , , , , , , and , “Effects of spin-dependent quasiparticle renormalization in Fe, Co, and Ni photoemission spectra: An experimental and theoretical study,” Phys. Rev. B 85: 205109, 2012.Google Scholar
[959] , , , , and , “Computation of correlation-induced atomic displacements and structural transformations in paramagnetic KCuF3 and LaMnO3,” Phys. Rev. B 81: 075109, 2010.Google Scholar
[960] , , , and , “Dynamical coherent-potential approximation approach to excitation spectra in 3d transition metals,” Phys. Rev. B 81: 245133, 2010.Google Scholar
[961] and , “Onsager cavity fields in itinerant-electron paramagnets,” Phys. Rev. Lett. 69: 371–374, 1992.Google Scholar
[962] , “Magnetic short-range order above the Curie temperature of Fe and Ni,” Phys. Rev. B 72: 140406, 2005.Google Scholar
[963] , , and , “Density-functional study of paramagnetic iron,” Phys. Rev. B 84: 140411, 2011.Google Scholar
[966] , , , , , , , and , “Enhanced crystal-field splitting and orbital-selective coherence induced by strong correlations in V2O3,” Phys. Rev. B 76: 085127, 2007.Google Scholar
[967] , , and , “Magnetic structure of V2O3 in the insulating phase,” Phys. Rev. B 18: 4945–4966, 1978.Google Scholar
[968] , , , , and , “Electronic structure of paramagnetic V2O3: Strongly correlated metallic and Mott insulating phase,” Phys. Rev. B 70: 205116, 2004.Google Scholar
[969] , , , , , and , “Spectral properties of the Mott Hubbard insulator (Cr0.011 V0.989)2 O3 calculated by LDA+DMFT,” J. Phys.: Conf. Series 200: 012208, 2010.Google Scholar
[970] , Ph.D. thesis, Universität zu Köln, “Hard X-ray photoelectron spectroscopy: New opportunities for soild state research,” 2015.
[971] and , “Magnitude and origin of the band gap in NiO,” Phys. Rev. Lett. 53: 2339–2342, 1984.Google Scholar
[972] , , , , , , and , “Influence of magnetic ordering on the NiO valence band,” Phys. Rev. B 54: 10245–10248, 1996.Google Scholar
[973] , , and , “Multielectron satellites and spin polarization in photoemission from Ni compounds,” Phys. Rev. B 29: 5225–5227, 1984.Google Scholar
[974] , , , , and , “Dynamical mean-field approach to materials with strong electronic correlations,” Eur. Phys. J. Special Topics 180: 5–28, 2009.Google Scholar
[975] , , , and , “Resonant valence-band satellites and polar fluctuations in nickel and its compounds,” Phys. Rev. B 26: 4845–4856, 1982.Google Scholar
[976] , , , , , and , “Aspects of the correlation effects, antiferromagnetic order, and translational symmetry of the electronic structure of NiO and CoO,” Phys. Rev. Lett. 64: 2442–2445, 1990.Google Scholar
[977] , , , , , , , , , , and , “Electronic structure of NiO: Correlation and band effects,” Phys. Rev. B 44: 3604–3626, 1991.Google Scholar
[978] , , , and , “NiO: Correlated band structure of a charge-transfer insulator,” Phys. Rev. Lett. 99: 156404, 2007.Google Scholar
[979] , , and , “Local correlations and hole doping in NiO: A dynamical mean-field study,” Phys. Rev. B 75: 165115, 2007.Google Scholar
[980] and , “Linear response calculations of lattice dynamics in strongly correlated systems,” Phys. Rev. Lett. 90: 056401, 2003.Google Scholar
[981] , , , , , and , “LDA+DMFT computation of the electronic spectrum of NiO,” Phys. Rev. B 74: 195114, 2006.Google Scholar
[982] , , , and , “Electronic structure of Li-doped NiO,” Phys. Rev. B 45: 1612–1622, 1992.Google Scholar
[983] , , and , “Anomalous transfer of spectral weight in doped strongly correlated systems,” Phys. Rev. Lett. 67: 1035–1038, 1991.Google Scholar
[984] , , , , , , , , , , , and , “First-order isostructural Mott transition in highly compressed MnO,” Phys. Rev. Lett. 94: 115502, 2005.Google Scholar
[985] , , , , , and , “Experimental and theoretical evidence for pressure-induced metallization in FeO with rocksalt-type structure,” Phys. Rev. Lett. 108: 026403, 2012.Google Scholar
[986] , , and , “Magnetic collapse in transition metal oxides at high pressure: Implications for the earth,” Science 275: 654–657, 1997.Google Scholar
[987] and , “Multi-mbar phase transitions in minerals,” Rev. Mineral. Geochem. 71: 299–314, 2010.Google Scholar
[988] , , , and , “Collapse of magnetic moment drives the Mott transition in MnO,” Nat. Mater. 7: 198–202, 2008.Google Scholar
[989] , , , , , , , , , and , “Mott transition of MnO under pressure: A comparison of correlated band theories,” Phys. Rev. B 74: 195110, 2006.Google Scholar
[991] , , and , “First-principles approach to the electronic structure of strongly correlated systems: Combining the GW approximation and dynamical mean-field theory,” Phys. Rev. Lett. 90: 086402, 2003.Google Scholar
[992] , , , , , and , “Frequency-dependent local interactions and low-energy effective models from electronic structure calculations,” Phys. Rev. B 70: 195104, 2004.Google Scholar
[993] , “Studies of polaron motion: Part I. The molecular-crystal model,” Ann. Phys. 8: 325–342, 1959.Google Scholar
[994] , “Studies of polaron motion: Part II. The ‘small’ polaron,” Ann. Phys. 8: 343–389, 1959.Google Scholar
[995] and , “Kinetic theory of semiconductors with low mobility (Zh. ksp. Teor. Fiz.43: 1843, 1962),” Sov. Phys. JETP 16: 1301, 1963.Google Scholar
[996] , , , , , , and , “Low-energy models for correlated materials: Bandwidth renormalization from Coulombic screening,” Phys. Rev. Lett. 109: 126408, 2012.Google Scholar
[997] , , and , “Dynamical vertex approximation: A step beyond dynamical mean-field theory,” Phys. Rev. B 75: 045118, 2007.Google Scholar
[998] , “Influence of spatial correlations in strongly correlated electron systems: Extension to dynamical mean field approximation,” J. Phys. Soc. Japan 75: 054713, 2006.Google Scholar
[999] , “A new functional integral formalism for strongly correlated Fermi systems,” J. Phys. C: Solid State Phys. 21:L667, 1988.
[1000] , , and , “Dual fermion approach to nonlocal correlations in the Hubbard model,” Phys. Rev. B 77: 033101, 2008.Google Scholar
[1001] , , , , , and , “Efficient perturbation theory for quantum lattice models,” Phys. Rev. Lett. 102: 206401, 2009.Google Scholar
[1002] , , , and , “Dual fermion approach to the two-dimensional Hubbard model: Antiferromagnetic fluctuations and Fermi arcs,” Phys. Rev. B 79: 045133, 2009.Google Scholar
[1003] , “Dynamical screening effects in correlated electron materials – a progress report on combined many-body perturbation and dynamical mean field theory: GW+DMFT,” J. Phys.: Condens. Matter 26: 173202, 2014.Google Scholar
[1004] , “Atomic theory of the ƛ transition in helium,” Phys. Rev. 91: 1291–1301, 1953.Google Scholar
[1005] and , “Guest editors' introduction: The top 10 algorithms,” Comput. Sci. Eng. 2: 22–23, 2000.Google Scholar
[1006] , , , , and , “Equation of state calculations by fast computing machines,” J. Chem. Phys. 21: 1087, 1953.Google Scholar
[1008] , “Monte Carlo sampling methods using Markov chains and their applications,” Biometrika 57: 97–109, 1970.Google Scholar
[1009] and , Understanding Molecular Simulation, From Algorithms to Applications, Academic Press, San Diego, CA, 2002.Google Scholar
[1010] , Jr., and , Monte Carlo Methods in ab initio Quantum Chemistry, World Scientific, Singapore, 1994.Google Scholar
[1011] , , and , “Monte Carlo simulation of a many-fermion system,” Phys. Rev. B 16: 3081–3099, 1977.Google Scholar
[1012] and , Matrix Computations, Johns Hopkins University Press, Baltimore, MD, 1980.Google Scholar
[1014] , , and , “Brownian dynamics as smart Monte Carlo simulation,” J. Chem. Phys. 69: 4628–33, 1978.Google Scholar
[1015] and , “An optimized method for treating arbitrary long-ranged potentials,” J. Comput. Phys. 117: 171, 1995.Google Scholar
[1016] , , , , and , “Computing the energy of a water molecule using multideterminants: A simple, efficient algorithm,” J. Chem. Phys. 135: 244105, 2011.Google Scholar
[1017] and , in Monte Carlo Methods in Statistical Physics, Topics in Condensed Matter Physics, edited by , Springer-Verlag, Berlin, 1986, pp. 145–194.Google Scholar
[1019] , , , , and , “Alleviation of the fermion-sign problem by optimization of many-body wave functions,” Phys. Rev. Lett. 98: 110201, 2007.Google Scholar
[1020] and , “Optimization of quantum Monte Carlo wave functions by energy minimization,” J. Chem. Phys. 126: 084102, 2007.Google Scholar
[1021] and , “Full optimization of Jastrow–Slater wave functions with application to the first-row atoms and homonuclear diatomic molecules,” J. Chem. Phys. 128: 174101, 2008.Google Scholar
[1022] , “The statistical error of Green's function Monte Carlo,” J. Stat. Phys. 43: 815, 1986.Google Scholar
[1023] , , and , “Variational quantum Monte Carlo nonlocal pseudopotential approach to solids: Cohesive and structural properties of diamond,” Phys. Rev. Lett 61: 1631–1634, 1988.Google Scholar
[1024] , , and , “Variational quantum Monte Carlo nonlocal pseudopotential approach to solids: Formulation and application to diamond, graphite, and silicon,” Phys. Rev. B 42: 3503–3522, 1990.Google Scholar
[1026] , , and , “Nonlocal pseudopotentials and diffusion Monte Carlo.” J. Chem. Phys. 95: 3467, 1991.Google Scholar
[1027] and , “Generation of pseudopotentials from correlated wave functions,” J. Chem. Phys. 100: 1, 1994.Google Scholar
[1028] and , “Smooth relativistic Hartree–Fock pseudopotentials for H to Ba and Lu to Hg,” J. Chem. Phys. 122: 174109, 2005.Google Scholar
[1029] , , and , “Energy-consistent pseudopotentials for quantum Monte Carlo calculations,” J. Chem. Phys. 126: 234105, 2007.Google Scholar
[1030] , , and , “Energy-consistent small-core pseudopotentials for 3d-transition metals adapted to quantum Monte Carlo calculations,” J. Chem. Phys. 129: 164115, 2008.Google Scholar
[1031] , , and , “Twist-averaged boundary conditions in continuum Quantum Monte Carlo algorithms,” Phys. Rev. E 64: 016702, 2001.Google Scholar
[1032] , , , and , “Finite-size error in many-body simulations with long-range interactions,” Phys. Rev. Lett. 97: 076404, 2006.Google Scholar
[1033] , , , and , “Finite-size errors in continuum quantum Monte Carlo calculations,” Phys. Rev. B 78: 125106, 2008.Google Scholar
[1034] and , “Green's-function Monte Carlo for lattice fermions: Application to the t–J model,” Phys. Rev. B 61: 11787–11806, 2000.Google Scholar
[1035] and , “Ground-state correlations of quantum antiferromagnets: A Green-function Monte Carlo study,” Phys. Rev. B 40: 2737, 1989.Google Scholar
[1036] , “The spin-1/2 Heisenberg antiferromagnet on a square lattice and its application to the cuprous oxides,” Rev. Mod. Phys. 63: 1–62, 1991.Google Scholar
[1037] and , in The Monte Carlo Method in Condensed Matter Physics, edited by , Springer-Verlag, Berlin, 1995, Vol. 71, pp. 249–284.Google Scholar
[1038] , , , , and , “Variational description of Mott insulators,” Phys. Rev. Lett. 94: 026406, 2005.Google Scholar
[1039] , , , and , “Role of backflow correlations for the nonmagnetic phase of the t–t_ Hubbard model,” Phys. Rev. B 78: 041101, 2008.Google Scholar
[1040] , “Successive approximations by the Rayleigh–Ritz variation method,” Phys. Rev. 43: 830, 1933.Google Scholar
[1041] and , “The calculation of excited state properties with quantum Monte Carlo.” J. Chem. Phys. 89: 6316, 1988.Google Scholar
[1042] and , “Optimization of ground- and excited-state wave functions and van der Waals clusters,” Phys. Rev. Lett. 87: 043401, 2001.Google Scholar
[1043] , , and , “Quantum Monte Carlo calculation of the Fermi liquid parameters in the two-dimensional electron gas.” Phys. Rev. B 50: 1684–1694, 1994.Google Scholar
[1044] , , , , and , “Renormalization factor and effective mass of the two-dimensional electron gas,” Phys. Rev. B 79: 041308, 2009.Google Scholar
[1045] and , “Diffusion quantum Monte Carlo calculation of the quasiparticle effective mass of the two-dimensional homogeneous electron gas,” Phys. Rev. B 87: 045131, 2013.Google Scholar
[1046] , , , , , and , “Quasiparticle self-energy and many-body effective mass enhancement in a two-dimensional electron liquid,” Phys. Rev. B 71: 045323, 2005.Google Scholar
[1047] , , and , “Two-dimensional electron gas in the random-phase approximation with exchange and self-energy corrections,” Phys. Rev. B 61: 8026–8032, 2000.Google Scholar
[1048] , in Recent Progress in Many-Body Theories, edited by , Springer-Verlag, Berlin, 1981, p. 262.Google Scholar
[1050] and , “A sampling method for determining the lowest eigenvalue and the principal eigenfunction of Schrodinger's equation,” J. Res. Nat. Bur. Stand. 44: 551–557, 1950.Google Scholar
[1051] , , and , “Helium at zero temperature with hard-sphere and other forces,” Phys. Rev. A 9: 2178–2195, 1974.Google Scholar
[1052] , “A random-walk simulation of the Schrödinger equation: H+ 3,” J. Chem. Phys. 63: 1499–1503, 1975.Google Scholar
[1054] , “The simulation of quantum systems with random walks: A new algorithm for charged systems,” J. Comput. Phys. 51: 404, 1983.Google Scholar
[1055] , “On the product of semi-groups of operators,” Proc. Am. Math. Soc. 10: 545–551, 1959.Google Scholar
[1056] , “Feynman integrals and the Schrödinger equation,” J. Math. Phys. 5: 332–343, 1964.Google Scholar
[1057] and , “Development of a pure diffusion quantum Monte Carlo method using a full generalized Feynman–Kac formula. I. Formalism,” J. Chem. Phys. 88:1088– 1099, 1988.
[1058] and , “Monte Carlo solution of Schrödinger's equation,” J. Comput. Phys. 7: 134–156, 1971.Google Scholar
[1059] , , , and , “Fixed-node quantum Monte Carlo for molecules,” J. Chem. Phys. 77: 5593, 1982.Google Scholar
[1060] , , and , “The computer simulation of the static and dynamic properties of a polymer chain,” Macromolecules 14: 1472, 1981.Google Scholar
[1061] , , and K. J. Runge, “A diffusion Monte Carlo algorithm with very small time-step errors,” J. Chem. Phys. 99: 2865–2890, 1993.Google Scholar
[1062] and , in Advances in Quantum Monte Carlo, edited by , , and Jr., ACS Symposium Series, Washington, D.C., 2012, Vol. 1094, Ch. 3, pp. 13–26.Google Scholar
[1063] , , , and , “Green's function Monte Carlo method for liquid 3He,” Phys. Rev. Lett. 46: 728–731, 1981.Google Scholar
[1064] , , , and , “Green's function Monte Carlo for few fermion problems,” J. Chem. Phys. 77: 5562–5572, 1982.Google Scholar
[1065] , , and , “Fermion Monte Carlo without fixed nodes: A game of life, death, and annihilation in Slater determinant space,” J. Chem. Phys. 131: 054106, 2009.Google Scholar
[1067] and , “Nodal hypersurfaces and Anderson's random-walk simulation of the Schrödinger equation,” J. Chem. Phys. 64: 4811–4812, 1976.Google Scholar
[1068] , “Structure of fermion nodes and nodal cells,” Phys. Rev. Lett. 96: 240402, 2006.Google Scholar
[1069] , , and , “New stochastic method for systems with broken time-reversal symmetry – 2d fermions in a magnetic field,” Phys. Rev. Lett. 71: 2777–2780, 1993.Google Scholar
[1070] , , and , “Symmetry constraints and variational principles in diffusion quantum Monte Carlo calculations of excited-state energies,” Phys. Rev. B 60: 4558–4570, 1999.Google Scholar
[1071] and , “QuantumMonte Carlo for molecules: Green's function and nodal release,” J. Chem. Phys. 81: 5833, 1984.Google Scholar
[1072] , , and , “Released-phase quantum Monte Carlo.” Phys. Rev. E 55: 6202–6210, 1997.Google Scholar
[1073] , , , , and , “Fixed-node QMC method for lattice fermions,” Phys. Rev. B 51: 13039, 1995.Google Scholar
[1074] and , “Zero-variance zero-bias principle for observables in quantum Monte Carlo: Application to forces,” J. Chem. Phys. 119: 10536–10552, 2003.Google Scholar
[1075] , “Structure of the ground-state wave function of quantum fluids and ‘exact’ numerical methods,” Phys. Rev. B 26: 130–137, 1982.Google Scholar
[1077] and , “Muon alpha sticking probability in muon catalyzed fusion,” Phys. Rev. A 31: 1999, 1985.Google Scholar
[1078] , , and , “Accurate, efficient and simple forces with quantum Monte Carlo methods,” Phys. Rev. Lett. 94:036404: 1–4, 2005.Google Scholar
[1079] and , “Relativistic effective potentials in quantum Monte Carlo calculations,” J. Chem. Phys. 86: 1069–1070, 1987.Google Scholar
[1080] , “Beyond the locality approximation in the standard diffusion Monte Carlo method,” Phys. Rev. B 74: 161102, 2006.Google Scholar
[1081] , , , and , “Size-consistent variational approaches to nonlocal pseudopotentials: Standard and lattice regularized diffusion Monte Carlo methods revisited,” J. Chem. Phys. 132: 154113, 2010.Google Scholar
[1082] and , Ann. Phys. N. Y. 168: 1, 1986.
[1083] and , “Positive-projection Monte Carlo simulation: A new variational approach to strongly interacting fermion systems,” Phys. Rev. Lett. 65: 3437–3440, 1990.Google Scholar
[1084] , , and , “Constrained path Monte Carlo method for fermion ground states,” Phys. Rev. B 55: 7464–7477, 1997.Google Scholar
[1085] and , “Quantum Monte Carlo method using phase-free random walks with Slater determinants,” Phys. Rev. Lett. 90: 136401, 2003.Google Scholar
[1086] , in Emergent Phenomena in Correlated Matter: Lecture Notes of the Autumn School 2013, Forschungszentrum Julich, edited by , , and , Forschungszentrum Juelich GmbH and Institute for Advanced Simulations, Juelich, Germany, 2013.Google Scholar
[1087] , “On a method of calculating quantum distribution functions [translation: Soviet phys. doklady 2: 416, 1958],” Doklady Akad. Nauk S.S.S.R. 115: 1097, 1957.Google Scholar
[1088] , , , , and , “Phaseless auxiliary-field quantum Monte Carlo calculations with plane waves and pseudopotentials: Applications to atoms and molecules,” Phys. Rev. B 75: 245123, 2007.Google Scholar
[1089] , , , and , “Assessing weak hydrogen binding on Ca+ centers: An accurate many-body study with large basis sets,” J. Chem. Phys. 135: 164105, 2011.Google Scholar
[1090] , , , and , “Issues and observations on applications of the constrained-path Monte Carlo method to many-fermion systems,” Phys. Rev. B 59: 12788–12798, 1999.Google Scholar
[1091] , , and , “Investigation of the full configuration interaction quantum Monte Carlo method using homogeneous electron gas models,” J. Chem. Phys. 136: 244101, 2012.Google Scholar
[1092] and , “Spin and charge order in the doped Hubbard model: Longwavelength collective modes,” Phys. Rev. Lett. 104: 116402, 2010.Google Scholar
[1093] and , “Spatially inhomogeneous phase in the two-dimensional repulsive Hubbard model,” Phys. Rev. B 78: 165101, 2008.Google Scholar
[1094] and , “On the possibility of a metallic modification of hydrogen,” J. Chem. Phys. 3: 764, 1935.Google Scholar
[1095] and , “Ground state of solid hydrogen at high pressures,” Phys. Rev. B 36: 2092, 1987.Google Scholar
[1096] , , and , “Crystal structure of atomic hydrogen,” Phys. Rev. Lett. 70: 1952–1955, 1993.Google Scholar
[1097] , , and , “Crystal structure of molecular hydrogen at high pressure,” Phys. Rev. Lett. 74: 1601–1604, 1995.Google Scholar
[1098] , , , and , “The properties of hydrogen and helium under extreme conditions,” Rev. Mod. Phys. 84: 1607–1653, 2012.Google Scholar
[1099] , , , , , and M. A. Morales, “Benchmarking exchange–correlation functionals for hydrogen at high pressures using quantum Monte Carlo,” Phys. Rev. B 89: 184106, 2014.Google Scholar
[1100] , , , , , and , “Fundamental high-pressure calibration from all-electron quantum Monte Carlo calculations,” Phys. Rev. Lett. 104: 185702, 2010 (see also Supplemental Material).Google Scholar
[1101] , , and , “Calibration of the ruby pressure gauge to 800 kbar under quasi-hydrostatic conditions,” J. Geophys. Res.: Solid Earth 91: 4673–4676, 1986.Google Scholar
[1102] , , , and , “Diffusion quantum Monte Carlo calculations of the excited states of silicon,” Phys. Rev. B 57: 12140–12144, 1998.Google Scholar
[1103] , “Diffusion Monte Carlo: Exponential scaling of computational cost for large systems,” Phys. Rev. B 81: 035119, 2010.Google Scholar
[1104] and S. Moroni, “Reptation quantum Monte Carlo: A method for unbiased groundstate averages and imaginary-time correlations,” Phys. Rev. Lett. 82: 4745–4748, 1999.Google Scholar
[1105] , , , and , “Equation of state of the hydrogen plasma by path integral Monte Carlo simulation.” Phys. Rev. Lett. 73: 2145–2148, 1994.Google Scholar
[1106] , , , and , “Path-integral Monte Carlo simulation of the warm dense homogeneous electron gas,” Phys. Rev. Lett. 110: 146405, 2013.Google Scholar
[1107] , , , and , “Exchange-correlation energy for the three-dimensional homogeneous electron gas at arbitrary temperature,” Phys. Rev. B 88: 081102, 2013.Google Scholar
[1108] and , “Simulation of quantum many-body systems by path integral methods,” Phys. Rev. B 30: 2555, 1984.Google Scholar
[1109] and , “Finite temperature quantum statistics of H+ 3 molecular ion,” J. Chem. Phys. 133: 044312, 2010.Google Scholar
[1110] , “Path integrals in the theory of condensed helium,” Rev. Mod. Phys. 67: 279, 1995.Google Scholar
[1111] , , and , “On path integral Monte Carlo simulations,” J. Chem. Phys. 76: 5150–5155, 1982.Google Scholar
[1112] , Statistical Mechanics: Theory and Molecular Simulation, Oxford University Press, Oxford, 2010.Google Scholar
[1113] , , and , “Accelerating the convergence of path integral dynamics with a generalized Langevin equation,” J. Chem. Phys. 134: 084104, 2011.Google Scholar
[1114] , , and , “Single and paired point defects in a 2DWigner crystal,” Phys. Rev. Lett. 86: 492–495, 2000.Google Scholar
[1115] and , “Path integral Monte Carlo simulation of the low-density hydrogen plasma,” Phys. Rev. E 63: 66404, 2001.Google Scholar
[1116] , , and , “Coupled electron ion Monte Carlo calculations of dense metallic hydrogen,” Phys. Rev. Lett. 93:146402: 1–4, 2004.Google Scholar
[1117] , , and , “QuantumMonte Carlo simulation of the high pressure molecular–atomic transition in fluid hydrogen,” Phys. Rev. Lett. 97, 2006.
[1119] and , “Path integral Monte Carlo calculation of the kinetic energy of condensed lithium.” Phys. Rev. B 57: 252–257, 1998.Google Scholar
[1120] , “Efficient estimation of free energy differences from Monte Carlo data,” J. Comput. Phys. 22: 245–268, 1976.Google Scholar
[1121] and , “The calculation of exchange frequencies in bcc 3He with path integral Monte Carlo method.” Phys. Rev. Lett. 58: 1648–1651, 1987.Google Scholar
[1122] and , in Quantum Monte Carlo Methods in Physics and Chemistry, edited by and , Kluwer, Dordrecht, 1999, pp. 161–182.Google Scholar
[1123] , “Exchange in solid 3He and the Heisenberg hamiltonian,” Proc. Phys. Soc. London 86: 893, 1965.Google Scholar
[1124] , “Quantum mechanics of many-electron systems,” Proc. Roy. Soc. London, Ser. A 123: 714–733, 1929.Google Scholar
[1125] , “Multiple-spin exchange in strongly correlated fermion systems,” J. Low Temp. Phys. 162: 625–637, 2011.Google Scholar
[1126] and , “Path-integral computations of superfluid densities,” Phys. Rev. B 36: 8343, 1987.Google Scholar
[1127] , , and , “Worm algorithm and diagrammatic Monte Carlo: A new approach to continuous-space path integral Monte Carlo simulations,” Phys. Rev. E 74: 036701, 2006.Google Scholar
[1129] , in Monte Carlo and Molecular Dynamics of Condensed Matter Systems, edited by and , Editrice Compositori, Bologna, 1996.Google Scholar
[1131] , “Path integral calculations of normal liquid 3He,” Phys. Rev. Lett. 69: 331, 1992.Google Scholar
[1132] and , “Density fluctuations in liquid 4He: Path integrals and maximum entropy,” J. Low Temp. Phys. 104: 339, 1996.Google Scholar
[1133] and , “Fermionic quantum criticality and the fractal nodal surface,” Phys. Rev. B 78: 035104, 2008.Google Scholar
[1134] and , “Variational density matrix method for warm, condensed matter: Application to dense hydrogen,” Phys. Rev. E 61: 3470–3482, 2000.Google Scholar
[1135] , , , , , and , “Calculation of a deuterium double shock Hugoniot from ab initio simulations,” Phys. Rev. Lett. 87: 275502, 2001.Google Scholar
[1136] , , and , “A path integral ground state method,” J. Chem. Phys. 113: 1366–1371, 2000.Google Scholar
[1137] and , “Computational methods in coupled electron ion Monte Carlo,” ChemPhysChem 6: 1–8, 2005, (arXiv:physics/0501013).Google Scholar
[1138] , , , , and , “Structure, rotational dynamics, and superfluidity of small OCS-doped He clusters,” Phys. Rev. Lett. 90: 143401, 2003.Google Scholar
[1139] , , , and , “Itinerant ferromagnetic phase of the Hubbard model,” Phys. Rev. B 83: 060411, 2011.Google Scholar
[1140] , , and , “Pair-distribution functions of the twodimensional electron gas,” Phys. Rev. B 70: 115102, 2004.Google Scholar
[1141] , , , and , “Evidence for a first-order liquid–liquid transition in high-pressure hydrogen from ab initio simulations,” Proc. Natl. Acad. Sci. 107: 12799–12803, 2010.Google Scholar
[1142] , , and , in Bridging the Time Scales, edited by , , and , Springer-Verlag, Berlin, 2002, pp. 473–499.Google Scholar
[1143] and , “Correlated sampling in quantum Monte Carlo: A route to forces,” Phys. Rev. B 61:R16291–16294, 2000.Google Scholar
[1144] , , and , “Equation of state of metallic hydrogen from coupled electron–ion Monte Carlo simulations,” Phys. Rev. E 81: 021202, 2010.Google Scholar
[1145] , , , and , “Towards a predictive first-principles description of solid molecular hydrogen with density functional theory,” Phys. Rev. B 87: 184107, 2013.Google Scholar
[1146] , , , and , “Monte Carlo simulations of one-dimensional fermion systems,” Phys. Rev. B 26: 5033–5055, 1982.Google Scholar
[1147] and , in Computational Many-Particle Physics, edited by , , and , Springer-Verlag, New York, 2008, pp. 277–356.Google Scholar
[1148] , , , and , “Neutron scattering studies of the dynamic structure of liquid 4He,” Can. J. Phys. 54: 2178–2192, 1976.Google Scholar
[1149] and , “Bayesian inference and the analytic continuation of imaginary-time quantum Monte Carlo data,” Phys. Rep. 269: 133–195, 1996.Google Scholar
[1150] and , “Quantum Monte Carlo treatment of elastic exciton– exciton scattering,” Phys. Rev. E B63: 165209–165215, 2001.Google Scholar
[1151] and , “A Bayesian analysis of Green's function Monte Carlo correlation functions,” J. Chem. Phys. 97: 8415, 1992.Google Scholar
[1152] , , and , “Transient estimate Monte Carlo in the twodimensional electron gas,” Phys. Rev. B 53: 7376–7382, 1996.Google Scholar
[1155] , An Essay on the Application of Mathematical Analysis to the Theory of Electricity and Magnetism, Printed for the author by , London. Sold by Hamilton, Adams & Co., Nottingham, 1828. Reprinted in three parts in J. reine abgewand. Math. 39: 73, 1850; 44: 356, 1852; and 47: 161, 1854.Google Scholar
[1156] and , “Determination of thermodynamic Green's functions,” J. Math. Phys. 2: 232–234, 1961.Google Scholar
[1157] , “Diagram technique for nonequilibrium processes (translation of Zh. Eksp. Teor. Fiz., 47: 1515, 1965),” Soviet Phys. JETP 20: 1018–1026, 1965.Google Scholar
[1158] , , , , and , “Introduction to the Keldysh formalism,” Lecture Notes in Physics 706: 33, 2006.Google Scholar
[1161] , , , , , and , “Novel use of Legendre transformation in field theory and many particle systems,” Prog. Theor. Phys. Suppl. 121: 1, 1995.Google Scholar
[1163] , , , and , “Transforming nonlocality into a frequency dependence: A shortcut to spectroscopy,” Phys. Rev. Lett. 99: 057401, 2007.Google Scholar
[1164] and , “Density-functional theory of the energy gap,” Phys. Rev. Lett. 51: 1888–1891, 1983.Google Scholar
[1165] , “Exchange and correlation in density-functional theory,” Phys. Rev. B 32:3876– 3882, 1985.
[1166] , “The Sham–Schlüter equation in time-dependent density-functional theory,” Phys. Rev. Lett. 76: 3610–3613, 1996.Google Scholar
[1167] and , “Many-body diagrammatic expansion in a Kohn–Sham basis: Implications for time-dependent density functional theory of excited states,” Phys. Rev. Lett. 86: 2078–2081, 2001.Google Scholar
[1168] and , “A variational approach to the unipotential many-electron problem,” Phys. Rev. 90: 317, 1953.Google Scholar
[1169] and , “Optimized effective atomic central potential,” Phys. Rev. A 14: 36–40, 1976.Google Scholar
[1170] and , “Variational wave functions and the Mott transition,” Phys. Rev. B 43: 13770–13773, 1991.Google Scholar
[1171] , , and , “Gutzwiller approximation for antiferromagnetism in Hubbard model,” Prog. Theor. Phys. 53: 614–633, 1975.Google Scholar