The Ab Initio Analytical Approach of Vibronic Quantities: Application to Inorganic Stereochemistry

Advances in Quantum Chemistry

Volumn 44, Issue , 2003, Pages 369-387

  Cimpoesu, F ^a   Hirao, K ^a  

^a UNIVERSITY OF TOKYO   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33947324326     PISSN: 00653276     EISSN: None     Source Type: Book Series    
DOI: 10.1016/S0065-3276(03)44024-0     Document Type: Review

References (29)

1. I.B. Bersuker Chem. Rev. 101 2001 1067
2. I.B. Bersuker New. J. Chem. 4 1980 139
3. I.B. Bersuker N.N. Gorinchoi V.Z. Polinger Theor. Chim. Acta. 66 1984 161
4. I.B. Bersuker N.N. Gorinchoi V.Z. Polinger J. Mol. Struct. (Theochem) 270 1992 369
5. N.N. Gorinchoi I.B. Bersuker V.Z. Polinger New. J. Chem. 17 1993 125
6. M. Doscher H. Köppel P.G. Szalay J. Chem. Phys. 117 2002 2645
7. T.A. Barckholtz T.A. Miller J. Phys. Chem. A 103 1999 2321
8. R. Bruyndonckx C. Daul P.T. Manoharan E. Deiss Inorg. Chem. 36 1997 4251
9. L.F. Chibotaru F. Cimpoesu Int. J. Quantum Chem. 65 1997 37
10. N.C. Mösch-Zanetti H.W. Roesky W. Zheng A. Stasch M. Hewitt F. Cimpoesu T.R. Schneider J. Prust Angew. Chem. Int. Ed. 39 2000 3099
11. N. Gorinchoi F. Cimpoesu I.B. Bersuker J. Mol. Struct. (Theochem) 530 2000 281
12. K. Yagi T. Taketsugu K. Hirao M.S. Gordon J. Chem. Phys. 113 2000 1005
13. T. Taketsugu T. Yanai K. Hirao M.S. Gordon J. Mol. Struct. (Theochem) 451 1998 163
14. P. Pulay Analytical derivative methods in quantum chemistry, in Ab Initio Methods in Quantum Chemistry K.P. Lawley 1987 Wiley New York
15. I.B. Bersuker The Jahn–Teller Effect and Vibronic Interactions in Modern Chemistry 1984 Plenum Press New York
16. Y. Yamaguki Y. Osamura J.D. Goddard H. Scaheffer III A New Dimension to Quantum Chemistry: Analytic Derivative Methods in Ab Initio Molecular Electronic Structure Theory 1994 Oxford University Press Oxford
17. H. Nakano K. Hirao M.S. Gordon J. Chem. Phys. 108 1998 5660
18. W. Kutzelnigg J. Mol. Struct. (Theochem) 61 1989 11
19. H. Sekino T. Yanai K. Hirao Nonlinear Optics 26 2000 25
20. K. Hirao Recent Advances in Multireference Methods K. Hirao 2001 World Scientific Singapore
21. E. Dalgaard P. Jørgensen J. Chem. Phys. 69 1978 3833
22. M. Atanasov D. Reinen J. Am. Chem. Soc. 124 2002 6693
23. M. Atanasov D. Reinen J. Phys. Chem. A 105 2001 5450
24. The calculations were carried out performing a modification in the GAMESS package: M.W. Schmidt K.K. Baldridge J.A. Boatz S.T. Elbert M.S. Gordon J.H. Jensen S. Koseki N. Matsunaga K.A. Nguyen S.J. Su T.L. Windus J. Comput. Chem. 14 1993 1347
25. P. Schatz E.I. Solomon A.B.P. Lever Inorganic Electronic Structure and Spectroscopy Vol. 2 1999 Wiley New York
26. M. Ferbinteanu H.W. Roesky F. Cimpoesu M. Atanasov S. Köpke R. Herbst-Irmer Inorg. Chem. 40 2001 4947
27. J.V. Ortiz Adv. Quantum Chem. 35 1999 33
28. E.S. Kryachko Int. J. Quantum Chem. 56 1995 3
29. S.T. Epstein Chem. Phys. Lett. 70 1980 311