Ionization spectrum of CO2 studied by the SAC-CI general-R method

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 55, Issue 3, 1999, Pages 487-493

  Ehara, Masahiro ^a   Nakatsuji, Hiroshi ^a,b  

^a KYOTO UNIVERSITY   (Japan)

^b INSTITUTE FOR FUNDAMENTAL CHEMISTRY   (Japan)

Author keywords

Ionization spectrum; Outer and inner valence regions; SAC CI general R method

Indexed keywords

EID: 9344226728     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1386-1425(98)00257-1     Document Type: Article

References (31)

1. C.J. Allan, U. Gelius, D.A. Allison, G. Johansson, H. Siegbahn, K. Siegbahn, J. Electron Spectrosc. Relat. Phenom. 1 (1972) 131.
2. C.E. Brion, K.H. Tan, Chem. Phys. 34 (1978) 141.
3. W. Domcke, L. S. Cederbaum, J. Schirmer, W. von Niessen, C.E. Brion, K.H. Tan, Chem. Phys. 40 (1979) 171.
4. H.J. Freund, H. Kossmann, V. Schmidt, Chem. Phys. Lett. 123 (1986) 463.
5. P. Roy, I. Nenner, P. Millie, P. Morin, J. Chem. Phys. 84 (1986) 2050.
6. L.S. Cederbaum, J. Schirmer, W. Domcke, W. von Niessen, J. Phys. B. 10 (1977) 549.
7. H. Nakatsuji, Chem. Phys. 75 (1983) 425.
8. H. Nakatsuji, K. Hirao, J. Chem. Phys. 68 (1978) 2053.
9. H. Nakatsuji, Chem. Phys. Lett. 59 (1978) 362.
10. H. Nakatsuji, Chem. Phys. Lett. 67 (1979) 329.
11. H. Nakatsuji, Chem. Phys. Lett. 67 (1979) 334.
12. H. Nakatsuji, in: Computational chemistry-review of current trends, World Scientific, New Jersey, Vol. 2, 1997, pp. 62-124.
13. H. Nakatsuji, Acta Chim. Hungarica 129 (1992) 719.
14. H. Nakatsuji, O. Kitao, T. Yonezawa, J. Chem. Phys. 83 (1985) 723.
15. H. Nakatsuji, S. Saito, J. Chem. Phys. 91 (1989) 6205.
16. H. Nakatsuji, M. Ehara, M.H. Palmer, M.F. Guest, J. Chem. Phys. 97 (1992) 2561.
17. H. Nakatsuji, M. Ehara, J. Chem. Phys. 101 (1994) 7658.
18. H. Nakatsuji, J. Hasegawa, M. Hada, J. Chem. Phys. 104 (1996) 2321.
19. M. Ehara, Y. Ohtsuka, H. Nakatsuji, Chem. Phys. 226 (1998) 113.
20. H. Nakatsuji, Chem. Phys. Lett. 177 (1991) 331.
21. H. Nakatsuji, J. Chem. Phys. 83 (1985) 731.
22. H. Nakatsuji, J. Chem. Phys. 83 (1985) 5743.
23. H. Nakatsuji, J. Chem. Phys. 94 (1991) 6716.
24. M. Ehara, H. Nakatsuji, Chem. Phys. Lett. 282 (1998) 347.
25. J. Hasegawa, M. Ehara, H. Nakatsuji, Chem. Phys. 230 (1998) 23.
26. S. Huzinaga, J. Chem. Phys. 42 (1965) 1293.
27. T.H. Dunning, J. Chem. Phys. 53 (1970) 2823.
28. T.H. Dunning, J. Chem. Phys. 90 (1989) 1007.
29. M. Dupuis, J.D. Watts, H.O. Viller, G.J.B. Hurst, Program System HONDO8.
30. H. Nakatsuji, M. Hada, M. Ehara, J. Hasegawa, T. Nakajima, H. Nakai, O. Kitao, K. Toyota, SAC/SAC-CI program system (SAC-CI96) for calculating ground, excited, ionized, and electron-attached states having singlet to septet spin multiplicities, 1996.
31. K. Kimura, S. Katsumata, Y. Achiba, T. Yamazaki, S. Iwata, Handbook of HeI photoelectron spectra of fundamental organic molecules, Halstead Press, NY, 1981.