Hostname: page-component-7479d7b7d-68ccn Total loading time: 0 Render date: 2024-07-13T22:09:52.338Z Has data issue: false hasContentIssue false
  • English
  • Français

The MORBID Method

Published online by Cambridge University Press:  12 April 2016

Per Jensen
Per Jensen*
Affiliation:
FB 9-Theoretische Chemie, Bergische Universität-Gesamthochschule Wuppertal, D-42097 Wuppertal, Germany

Extract

Core share and HTML view are not available for this content. However, as you have access to this content, a full PDF is available via the ‘Save PDF’ action button.

The present communication is concerned with the problem of calculating the rotation-vibration energies and the absorption intensities of a triatomic molecule from the effective nuclear potential energy function and the dipole moment surfaces within the Born-Oppenheimer approximation (Born & Oppenheimer 1927). There are at least two astrophysical applications of such calculations:

— Detailed spectra of triatomic molecules can be computed under the conditions prevailing in stellar atmospheres and compared with observed spectra.

— Such spectra can also be used for constructing a wavenumber-dependent absorption coefficient which can be employed for opacity calculations as outlined, for example, by Jørgensen & Jensen (1993).

Type
Research Article
Information
International Astronomical Union Colloquium , Volume 146: Molecules in the Stellar Environment , 1994 , pp. 353 - 365
Copyright
Copyright © Springer-Verlag 1994

References

Barclay, V.J., Hamilton, I.P., Jensen, P., 1993, J. Chem. Phys., submitted for publicationGoogle Scholar
Barone, V., Jensen, P., Minichino, C., 1992, J. Mol. Spectrosc, 154, 252 Google Scholar
Baitlett, R.J., Cole, S.J., Purvis, G.D., Ermlei, W.C., Hsieh, H.C., Shavitt, I., 1987, J. Chem. Phys., 87, 6579 Google Scholar
Bom, M., Oppenheimer, J.R., 1927, Ann. der Physik, 84, 457 Google Scholar
Bunker, P.R., Hamilton, I.P., Jensen, P., 1992, J. Mol. Spectrosc, 155, 44 Google Scholar
Bunker, P.R., Jensen, P., Karpfen, A., Lischka, H., 1989, J. Mol. Spectrosc, 135, 89 Google Scholar
Bunker, P.R., Jensen, P., Wright, J.S., Hamilton, I.P., 1990, J. Mol. Spectrosc, 144, 310 Google Scholar
Carter, S., Handy, N.C., 1987, J. Chem. Phys., 87, 4294 Google Scholar
Choi, S.E., Light, J.C., 1992, J. Chem. Phys., 97, 7031 Google Scholar
Chong, D.P., Papoušek, D., Chen, Y.-T., Jensen, P., 1993, J. Chem. Phys., 98, 1352 Google Scholar
Comeau, D.C., Shavitt, I., Jensen, P., Bunker, P.R., 1989, J. Chem. Phys., 90, 6491 Google Scholar
Cooley, J.W., 1961, Math. Comp., 15, 363 Google Scholar
Fernley, J.A., Miller, S., Tennyson, J., 1991, J. Mol. Spectrosc, 150, 597 Google Scholar
Halonen, L., Carrington, Jr., T., 1988, J. Chem. Phys., 88, 4171 Google Scholar
Hougen, J.T., Bunker, P.R., Johns, J.W.C., 1970, J. Mol. Spectrosc, 34, 136 Google Scholar
Jensen, P., 1983, Comp. Phys. Reports, 1, 1 Google Scholar
Jensen, P., 1988a, J. Mol. Spectrosc., 128, 478 Google Scholar
Jensen, P., 1988b, J. Chem. Soc. Faraday Trans. 2, 84, 1315 Google Scholar
Jensen, P., 1988c, J. Mol Spectrosc, 132, 429 Google Scholar
Jensen, P., 1988d, J. Mol. Structure, 190, 149 Google Scholar
Jensen, P., 1989a, J. Mol. Spectrosc, 133, 438 Google Scholar
Jensen, P., 1989b, Collection of Czechoslovak Chemical Communications, 54, 1209 Google Scholar
Jensen, P., 1992, in Methods in Computational Molecular Physics, Wilson, S. and Diercksen, G. H. F., eds., Plenum Press, New York.Google Scholar
Jensen, P., Buenker, R.J., Hirsch, G., Rai, S.N., 1990, Mol. Phys., 70, 443 Google Scholar
Jensen, P., Bunker, P.R., 1988, J. Chem. Phys., 89, 1327 Google Scholar
Jensen, P., Bunker, P.R., McLean, A.D., 1987, Chem. Phys. Lett., 141, 53 Google Scholar
Jensen, P., Kozin, I.N., 1993, J. Mol. Spectrosc, 160, 39 Google Scholar
Jensen, P., Kraemer, W.P., 1988a, J. Mol. Spectrosc, 129, 172 Google Scholar
Jensen, P., Kraemer, W.P., 1988b, J. Mol. Spectrosc, 129, 216 Google Scholar
Jensen, P., Rohlfing, ??., Almlöf, J., 1992, J. Chem. Phys., 97, 3399 Google Scholar
Jensen, P., Tyuterev, V.G., 1993, in preparation.Google Scholar
Jørgensen, U.C, Jensen, P., 1993, J. Mol. Spectrosc, 161, 219 Google Scholar
Kauppi, E., Halonen, L., 1990, J. Phys. Chem., 94, 5779 Google Scholar
Kozin, I.N., Belov, S.P., Polyansky, O.L., Tretyakov, M.Yu., 1992a, J. Mol. Spectrosc, 152, 13 Google Scholar
Kozin, I.N., Jensen, P., 1993, J. Mol. Spectrosc., 161, 186 Google Scholar
Kozin, I.N., Klee, S., Jensen, P., Polyansky, O.L, Pavlichenkov, I.M., 1993, J. Mol. Spectrosc, 158, 409 Google Scholar
Kozin, I.N., Polyansky, O.L., Pripolzin, S.I., Vaks, V.L., 1992b, J. Mol. Spectrosc, 156, 504 Google Scholar
Kraemer, W.P., Bunker, P.R., Yoshimine, M., 1984, J. Mol. Spectrosc, 107, 191 Google Scholar
Kraemer, W.P., Jensen, P., Roos, B.O., Bunker, P.R., 1992, J. Mol. Spectrosc, 153, 240 Google Scholar
Kraemer, W.P., Roos, B.O., Siegbahn, P.E.M., 1982, Chem. Phys., 69, 305 Google Scholar
Matsumura, K., Kanamori, H., Kawaguchi, K., Hirota, E., 1988, J. Chem. Phys., 89, 3491 Google Scholar
McLean, A.D., Bunker, P.R., Escribano, R., Jensen, P., 1987, J. Chem. Phys., 87, 2166 Google Scholar
Papoušek, D., Aliev, M.R., 1982, Molecular Vibrational-Rotatonal Spectra, Elsevier, Amsterdam.Google Scholar
Schmuttenmaer, CA., Cohen, R.C., Pugliano, N., Heath, J.R., Cooksy, A.L., Busarow, K.L., Saykally, R.J., 1990, Science, 249, 897 Google Scholar
Smith, M.A.H., Rinsland, C.P., Fridovich, K., Narahari, Rao K., 1985, in Molecular Spec-troscopy: Modem Research, Vol. III, Narahari Rao, K., ed., Academic Press, Orlando.Google Scholar
Špirko, V., Jensen, P., Bunker, P.R., Ċejchan, A., 1985, J. Mol. Spectrosc, 112, 183 Google Scholar
Wattson, R.B., Rothman, L.S., 1992, J. Quant. Spectrosc. Radiat. Transfer, 48, 763 Google Scholar