A full configuration interaction study of the low-lying states of the bh molecule

Molecular Physics

Volumn 91, Issue 5, 1997, Pages 861-871

  Gagliardi, Laura ^a   Bendazzoli, Gianluigi ^a   Evangelisti, Stefano ^a  

^a UNIVERSITY OF BOLOGNA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001022356     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/002689797170969     Document Type: Article

References (36)

1. Huber, K., and Herz berg, G., 1979, Molecular Spectra and Molecular Structure. 4: Constants of Diatomic Molecules (Princeton: Van Nostrand).
2. Johns, J.W. C., Grimm, F. A., and Porter, R. F., 1967, J. Molec. Spectrosc., 22, 435.
3. Hurley, A. C., 1961, Proc. R. Soc. London Ser. A, 261, 237.
4. Botschwina, P., 1986, J. Molec. Spectrosc., 118, 76.
5. Gustafsson, O., and Rittby, M., 1988, J. Molec. Spectrosc., 131, 325.
6. Math, N. N., and Savadatti, M. I., 1990, Pramana, 35 (2), 137.
7. Fernando, W. T. M. L., and Bernath, P. F., 1991, J. Molec. Spectrosc., 145, 392.
8. Curtiss, L. A., and Pople, J. A., 1989, J. phys. Chem., 90, 2522.
9. Pople, J. A., Luke, B. T., Frisch, M. J., and Binkley, J. S., 1985, J. phys. Chem., 89, 2198.
10. Martin, J. M. L., Francois, J. P., and Gijbels, R., 1989, J. chem. Phys., 91, 4425.
11. Bauschlicher, Jr., C. W., Langhoff, S. R., and Taylor, P. R., 1990, J. phys. Chem., 93, 502.
12. Almlof, J., and Taylor, P. R., 1987, J. chem. Phys., 86, 4070.
13. Persico, M., 1994, Molec. Phys., 81, 1463.
14. Koch, H., Christiansen, O., Jorgensen, P., and Olsen, J., 1995, Chem. Phys. Lett., 244, 75.
15. Cimiraglia, R., and Persico, M., 1981, J. Molec. Spectrosc., 87, 303.
16. Cimiraglia, R., 1992, Time-Dependent Quantum Molecular Dynamics, edited by J. Broeckhove and L. Lathouwers (New York: Plenum Press)
17. Cimiraglia, R., Persico, M., and Spiegelmann, F., 1997, unpublished.
18. Broeckhove, J., Feyen, B., Van Leuven, P., Cimiraglia, R., and Persico, M., 1993, J. Phys. B, 26, 4471
19. Broeckhove, J., Feyen, B., Van Leuven, P., Cimiraglia, R., and Persico, M., 1993, Int. J. Quantum Chem.: Quantum Chem. Symp., 27, 517.
20. Ellison, F. O., 1965, J. chem. Phys., 43, 3654.
21. Browne, J. C., and Greenawalt, E. M., 1970, Chem. Phys. Lett., 7, 363.
22. Pearson, P. K., Bender, C. F., and Schaefer, H. F., III, 1971, J. chem. Phys., 55, 5235.
23. Mulliken, R. S., 1971, Int. J. Quantum Chem. Symp., 5, 83.
24. Houlden, S. A., and Csizmadia, I. G., 1974, Theor. Chim. Acta, 30, 209
25. Houlden, S. A., and Csizmadia, I. G., 1974, Theor. Chim. Acta., 35, 173.
26. Jaszuníski, M., Roos, B. O., and Widmark, P.-O., 1981, J. chem. Phys., 75, 306.
27. Savrda, J., Vojtiík, J., and Paidarovaí, I., 1992, Chem. Phys. Lett., 182, 542.
28. Yang, X., Pederson, L., Yarkony, D. R., and Dagdigian, P. J., 1996, J. phys. Chem., 100(14), 5649.
29. Boehmer, E., and Benard, D. J., 1995, J. phys. Chem., 99, 1969.
30. Bendaz zoli, G. L., and Evangelisti, S., 1993, J. chem. Phys., 98, 3141.
31. Evangelisti, S., Bendaz z oli, G. L., Ansaloni, R., and Rossi, E., 1996, Chem. Phys. L ett., 233, 353.
32. Widmark, P.-O., Malmqvist, P.-Å., and Roos, B. O., 1990, Theor. Chim. Acta, 77, 291.
33. Bendazzoli, G. L., and Evangelisti, S., 1996, Gazz. Chim. Ital., 126, 619.
34. Handy, N. C., 1980, Chem. Phys. Lett., 74, 280.
35. MOLPRO is a package of ab initio programs written by H.-J. Werner, and P. J. Knowles, with contributions from J. Almlof, R. Amos, S. Elbert, K. Hampel, W. Meyer, K. Peterson, R. Pitz er, and A. Stone.
36. Boys, S. F., and Bernardi, F., 1970, Molec. Phys., 19, 553.