Equivalent core model: Extended theory and applications

Journal of Chemical Physics

Volumn 118, Issue 5, 2003, Pages 2081-2091

  Kryzhevoi, Nikolai V ^a   Dobrodey, Nickolay V ^a   Cederbaum, Lorenz S ^a  

^a UNIVERSITY OF HEIDELBERG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CARBON MONOXIDE; CHEMICAL BONDS; ELECTRONIC STRUCTURE; GROUND STATE; HAMILTONIANS; IONIZATION; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; NUMERICAL ANALYSIS; QUANTUM THEORY;

CORE IONIZATION; EQUIVALENT CORE MODEL; VALENCE STRUCTURE;

MOLECULAR PHYSICS;

EID: 0037329464     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1533031     Document Type: Article

References (18)

1. M. Tronc, G. C. King, and F. H. Read, J. Phys. B 12, 137 (1979).
2. D. A. Shaw, G. C. King, and F. H. Read, J. Phys. B 13, L723 (1980).
3. A. P. Hitchcock, and C. E. Brion, J. Phys. B 14, 4399 (1981).
4. Y. Chen, G. Zhuang, P. N. Ross, M. A. van Hove, and C. S. Fadley, J. Chem. Phys. 109, 6527 (1998).
5. J. Bozek, T. X. Carroll, J. Hahne, L. J. Saethre, J. True, and T. D. Thomas, Phys. Rev. A 57, 157 (1998).
6. C. Hannay, D. Duflot, J. P. Flament, and M. J. Hubin-Franskin, J. Chem. Phys. 110, 5600 (1999).
7. M. N. R. Wohlfarth and L. S. Cederbaum, J. Chem. Phys. 116, 8723 (2002), paper I.
8. L. S. Cederbaum, W. Domke, and J. Schirmer, Phys. Rev. A 22, 206 (1980).
9. S. J. Osborne, S. Sundin, A. Ausmees et al., J. Chem. Phys. 106, 1661 (1997).
10. T. D. Thomas, L. J. Sæthre, S. L. Sorensen, and S. Svensson, J. Chem. Phys. 109, 1041 (1998).
11. T. Karlsen and K. J. Børve, J. Chem. Phys. 112, 7979 (2000).
12. E. B. Wilson, Jr., J. C. Decius, and P. C. Cross, Molecular Vibrations (Dover, New York, 1980).
13. M. F. Guest et al., GAMESS-UK User's Guide and Reference Manual (Doresbury Laboratory, Doresbury, UK, 2001).
14. T. H. Dunning, Jr., J. Chem. Phys. 90, 1007 (1989).
15. R. A. Kendall, T. H. Dunning, Jr., and R. J. Harrison, J. Chem. Phys. 96, 6796 (1992).
16. P. S. Bagus, Phys. Rev. 139, A619 (1965).
17. A. M. Sunkow, P. Rosmus, H. Bock, and P. Botschwina, Chem. Phys. 40, 377 (1979).
18. A. Snis, S. F. Matar, O. Plashkevych, and H. Ågren, J. Chem. Phys. 111, 9678 (1999).