An 'electrons-in-molecule' model for atom-atom representation of atom- molecule potentials, with application to the Ar-B2(X3σ(g)-) complex

Physical Chemistry Chemical Physics

Volumn 1, Issue 17, 1999, Pages 3949-3954

  Naumkin, Fedor Y ^a  

^a NONE

Author keywords

[No Author keywords available]

Indexed keywords

ANISOTROPY; ARTICLE; ATOM; ELECTRON; ENERGY; MOLECULAR INTERACTION; MOLECULAR MODEL; MOLECULE;

EID: 0033199248     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/a904158c     Document Type: Article

References (24)

1. 1 F. Y. Naumkin and P. J. Knowles, J. Chem. Phys., 1995, 103, 3392.
2. 2 F. Y. Naumkin and P. J. Knowles, in Femtochemistry - Ultrafast chemical and physical processes in molecular systems, ed. M. Chergui, World Scientific, Singapore, 1996, p. 94.
3. 3 F. Y. Naumkin, Mol. Phys., 1997, 90, 875.
4. 4 F. Y. Naumkin and F. R. W. McCourt, J. Chem. Phys., 1997, 107, 1185.
5. 5 S. S. Huang, C. R. Bieler, K. C. Janda, F. M. Tao, W. Klemperer, P. Casavecchia, G. G. Volpi and N. Halberstadt, J. Chem. Phys., 1995, 102, 8846.
6. 6 A. Rohrbacher, J. Williams, K. C. Janda, S. M. Cybulski, M. M. Szczesniak, G. Chalasinski and N. Halberstadt, J. Chem. Phys., 1997, 106, 2685.
7. 7 A. Rohrbacher, K. C. Janda, L. Beneventi, P. Casavecchia and G. G. Volpi, J. Phys. Chem., 1997, 101, 6528.
8. 8 K. C. Janda, D. Djahandideh, O. Roncero and N. Halberstadt, Chem. Phys., 1998, 239, 177.
9. 9 F. Y. Naumkin and F. R. W. McCourt, J. Chem. Phys., 1997, 107, 5702.
10. 10 F. Y. Naumkin and F. R. W. McCourt, J. Chem. Phys., 1998, 108, 9301.
11. 11 F. Y. Naumkin and F. R. W. McCourt, J. Chem. Phys., 1998, 109, 1271.
12. 12 P. J. Knowles, C. Hampel and H.-J. Werner, J. Chem. Phys., 1993, 99, 5219.
13. 13 M. J. O. Deegan and P. J. Knowles, Chem. Phys. Lett., 1994, 227, 321.
14. 14 T. H. Dunning, J. Chem. Phys., 1989, 90, 1007.
15. 15 R. A. Kendall, T. H. Dunning, Jr. and R. J. Harrison, J. Chem. Phys., 1992, 96, 6796.
16. 16 S. F. Boys and F. Bernardi, Mol. Phys., 1970, 19, 553.
17. 17 MOLPRO is a package of ab initio programs written by H.-J. Werner and P. J. Knowles, with contributions from J. Almlöf, R. D. Amos, A. Berning, M. J. O. Deegan, F. Eckert, S. T. Elbert, C. Hampel, R. Lindh, W. Meyer, A. Nicklass, K. Peterson, E.-A. Reinsch, R. M. Pitzer, A. J. Stone, P. R. Taylor, M. E. Mura, P. Pulay, M. Schuetz, H. Stoll, T. Thorsteinsson and D. L. Cooper.
18. 18 W. Jäger, Y. Xu, G. Armstrong, M. C. L. Gerry, F. Y. Naumkin, F. Wang and F. R. W. McCourt, J. Chem. Phys., 1998, 109, 5420.
19. 19 K. P. Huber and G. Herzberg, Constants of Diatomic Molecules, Van Nostrand Reinhold, New York, 1979.
20. 20 E. Hwang, Y.-L. Huang, P. J. Dagdigian and M. H. Alexander, J. Chem. Phys., 1993, 98, 8484.
21. 21 X. Yang and P. J. Dagdigian, J. Chem. Phys., 1997, 106, 6596.
22. 22 J. S. Cohen and B. J. Schneider, J. Chem. Phys., 1974, 61, 3230.
23. 23 M. H. Alexander, A. R. Walton, M. Yang, X. Yang, E. Hwang and P. J. Dagdigian, J. Chem. Phys., 1997, 106, 6320.
24. 24 J. Tennyson, S. Miller and C. R. LeSueur, Comput. Phys. Commun., 1993, 75, 339.