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10 - Monte Carlo calculations
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- 14 April 2011, pp 225-262
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Appendix: Code descriptions
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- 14 April 2011, pp 407-408
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Preface
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- 14 April 2011, pp xi-xii
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18 - Numerical linear algebra
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- 14 April 2011, pp 390-406
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6 - Solution of Poisson's equation
- from Part I - One-dimensional problems
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- 14 April 2011, pp 160-170
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Computational Nanoscience
- Applications for Molecules, Clusters, and Solids
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Contents
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Frontmatter
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- 14 April 2011, pp i-vi
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Part II - Two- and three-dimensional systems
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- 14 April 2011, pp 171-172
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3 - Solution of the Schrödinger equation for scattering states
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- 14 April 2011, pp 32-84
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4 - Periodic potentials: band structure in one dimension
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- 14 April 2011, pp 85-114
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9 - Variational calculations in three dimensions: atoms and molecules
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- 14 April 2011, pp 214-224
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14 - Density functional calculations with atomic orbitals
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- 14 April 2011, pp 317-331
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11 - Molecular dynamics simulations
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- 14 April 2011, pp 263-273
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16 - Time-dependent density functional calculations
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- 14 April 2011, pp 339-355
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13 - Plane wave density functional calculations
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- 14 April 2011, pp 295-316
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1 - Variational solution of the Schrödinger equation
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- 14 April 2011, pp 3-9
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7 - Three-dimensional real-space approach: from quantum dots to Bose–Einstein condensates
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- 14 April 2011, pp 173-195
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5 - Solution of time-dependent problems in quantum mechanics
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- 14 April 2011, pp 115-159
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12 - Tight-binding approach to electronic structure calculations
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- 14 April 2011, pp 274-294
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