Comparative studies of the lowest singlet states of (O2)2 including ab initio calculations of the four excited states dissociating into O2(1Δg) + O2(1Δg)

Journal of Chemical Physics

Volumn 108, Issue 8, 1998, Pages 3243-3248

  Bussery Honvault, B ^a   Veyret, V ^b  

^a UNIVERSITÉ DE RENNES 1   (France)

^b UNIVERSITÉ LYON 1   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0042361648     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.475720     Document Type: Review

References (27)

1. B. Bussery and P. E. S. Wormer, J. Chem. Phys. 99, 1230 (1993).
2. B. Bussery, Chem. Phys. 184, 29 (1994).
3. F. Uhlik, Z. Slanina, and A. Hinchliffe, J. Mol. Struct.: THEOCHEM 285, 273 (1993).
4. A. C. Pavão, G. M. Seabra, and C. A. Taft, J. Mol. Struct.: THEOCHEM 335, 59 (1995).
5. E. Ferreira, P. Gardiol, R. M. Sosa, and O. N. Ventura, J. Mol. Struct.: THEOCHEM 335, 63 (1995).
6. R. Hernandez, R. Toumi, and D. C. Clary, J. Chem. Phys. 102, 9544 (1995).
7. B. F. Minaev, V. D. Nokilaev, and H. Agren, Spectrosc. Lett. 29, 677 (1996); B. F. Minaev, Russ. J. Phys. Chem. 68, 1300 (1994).
8. B. F. Minaev, V. D. Nokilaev, and H. Agren, Spectrosc. Lett. 29, 677 (1996); B. F. Minaev, Russ. J. Phys. Chem. 68, 1300 (1994).
9. K. Andersson, P-A Malmqvist, and B. O. Roos, J. Chem. Phys. 96, 1218 (1992).
10. K. Andersson, P-A Malmqvist, B. O. Roos, A. J. Sadlej, and K. Wolinski, J. Phys. Chem. 94, 5483 (1990).
11. B. O. Roos, P. Linse, P. E. M. Siegbahn, and R. A. Blomberg, Chem. Phys. 66, 197 (1982).
12. K. Andersson, M. R. A. Blomberg, M. P. Fülscher, V. Kellö, R. Lindh, P. Aa. Malmqvist, J. Noga, J. Olsen, B. O. Roos, A. J. Sadlej, P. E. M. Siegbahn, M. Urban and P. O. Widmark, MOLCAS, Version 2, University of Lund, Sweden, 1991.
13. B. O. Roos, in Ab Initio Methods in Quantum Chemistry II, edited by K. P. Lawley (Wiley, New York, 1987), p. 399.
14. R. Bacis, A. Campargue, S. Churassy, R. Jost, and V. Veyret, Chem. Phys. Lett. (to be submitted).
15. S. F. Boys and F. Bernardi, Mol. Phys. 19, 553 (1970).
16. J. G. C. M. Duijneveldt-van de Rijdt and F. B. van Duijneveldt, J. Mol. Struct. 89, 185 (1982).
17. H. Hettema, P. E. S. Wormer, P. Jorgensen, H. J. Aa. Jensen, and T. Helgaker, J. Chem. Phys. 100, 1297 (1994).
18. D. J. Margoliash and W. Meath, J. Chem. Phys. 68, 1426 (1978).
19. G. D. Zeiss and W. J. Meath, Mol. Phys. 33, 1155 (1977).
20. P. W. Langhoff, R. G. Gordon, and M. Karplus, J. Chem. Phys. 55, 2126 (1971).
21. U. Hohm and K. Kerl, Mol. Phys. 69, 819 (1990).
22. K. T. Tang and J. P. Toennies, J. Chem. Phys. 80, 3726 (1984).
23. M. C. van Hemert, P. E. S. Wormer, and A. van der Avoird, Phys. Rev. Lett. 51, 1167 (1983); P. E. S. Wormer and A. van der Avoird, J. Chem. Phys. 81, 1929 (1984).
24. M. C. van Hemert, P. E. S. Wormer, and A. van der Avoird, Phys. Rev. Lett. 51, 1167 (1983); P. E. S. Wormer and A. van der Avoird, J. Chem. Phys. 81, 1929 (1984).
25. B. Bussery, S. Ya. Umanskii, M. Aubert-Frécon, and O. Bouty, J. Chem. Phys. 101, 416 (1994).
26. R. Cambi, D. Cappelletti, G. Liuti, and F. Pirani, J. Chem. Phys. 95, 1852 (1991).
27. J. O. Hirschfelder, C. F. Curtis, and R. B. Bird, in Molecular Theory of Gases and Liquids (Wiley, New York, 1964), p. 969.