Ab initio ‘CLOPPA’ decomposition of the static molecular polarizability tensor

Molecular Physics

Volumn 91, Issue 1, 1997, Pages 105-112

  Giribet, Claudia G ^a   Dolores Demarco, M ^a   Ruiz Dw Azua, M C ^a   Contreras, R H ^a  

^a UNIVERSIDAD DE BUENOS AIRES   (Argentina)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000136664     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/002689797171797     Document Type: Article

References (38)

1. Le Fevre, R. J. W. J., 1961. Proc. R. Soc. New South Wales, 95:1
2. Olson, M. L., and Sundberg, K. R., 1978. J. chem. Phys., 69:5400
3. Applequist, J., 1993. J. phys. Chem., 97:6016
4. Shanker, B., and Applequist, J., 1994. J. phys. Chem., 98:6486
5. Shanker, B., and Applequist, J., 1996. J. phys. Chem., 100:3879
6. Cohen, H. D., and Roothaan, C. C. J., 1963. J. chem. Phys., 43:S34
7. Garmer, D. R., and Stevens, W. J., 1989. J. Phys. Chem., 93:8263
8. Bader, R. F. W., Keith, T. A., Gough, K. M., and Laidig, K. E., 1992. Molec. Phys., 75:1167
9. El-Bakali Kassimi, N., Doerksen, R. J., and Thakkar, A. J., 1996. J. phys. Chem., 100:8752
10. Parkinson, W. A., and Zerner, M. C., 1987. Chem. Phys. Lett., 139:563
11. Voisin, C., Cartier, A., and Rivail, J. L., 1992. J. phys. Chem., 96:7966
12. Fraschini, E., Binati, L., and Pitea, D., 1996. J. phys. Chem., 100:10564
13. Parasuk, V., Neogrady, P., Lischka, H., and Urban, M., 1996. J. phys. Chem., 100:632
14. Yeager, D. L., Olsen, J., and Jorgensen, P., 1981. Int. J. Quantum Chem., S15:151
15. McDowell, S. A. C., Amos, R. D., and Handy, N. C., 1995. Chem. Phys. Lett., 235:1
16. Sun, H., and Mumby, S. J., 1996. J. phys. Chem., 104:1018
17. Dunlap, B. I., 1996. Int. J. Quantum Chem., 58:123
18. Wesolowski, T. A., and Weber, J., 1996. Chem. Phys. Lett., 248:71
19. Stone, A. J., 1985. Molec. Phys., 56:1065
20. Nakagawa, S., 1995. Chem. Phys. Lett., 246:256
21. Ángyán, J. G., Jansen, G., Loos, M., Hättig, C., and Hess, B. A., 1994. Chem. Phys. Lett., 219:267
22. Gough, K. M., Yacowar, M. M., Cleve, R. H., and Dwyer, J. R., 1996. Can. J. Chem., 74:1139
23. Laidig, K. E., 1996. Can. J. Chem., 74:1131
24. Åstrand, P. O., and Karlström, G., 1992. Molec. Phys., 77:143
25. Ruiz de Azúa, M. C., Diz, A. C., Giribet, C. G., Contreras, R. H., and Rae, I. D., 1986. Int. J. Quantum Chem., S20:585
26. Diz, A. C., Giribet, C. G., Ruiz de Azúa, M. C., and Contreras, R. H., 1990. Int. J. Quantum Chem., 37:663
27. Contreras, R. H., Ruiz de Azúa, M. C., Giribet, C. G., Aucar, G. A., and Lobayan de Bonczok, R., 1993. J. Molec. Struct. Theochem, 284:249
28. Engelmann, A. R., and Contreras, R. H., 1983. Int. J. Quantum Chem., 23:1033
29. Löwdin, P. O., 1962. J. math. Phys., 3:969 1965, Phys. Rev. A., 139, 357
30. Verwoerd, W. S., 1979. Chem. Phys., 44:151
31. Jørgensen, P., and Simons, J., 1981. “ chap. 6 ”. In Second Quantization-Based Methods in Quantum Chemistry, London:Academic Press.
32. Lazzeretti, P., and Zanasi, R., 1982. J. chem. Phys., 77:2448
33. Lazzeretti, P., 1979. Int. J. Quantum. Chem., 15:181
34. Lazzeretti, P., 1979. J. chem. Phys., 71:2514
35. McCurdy, C. V., Jr., Rescigno, T. N., Yaeger, D. L., and McKoy, V., 1977. Methods of Electronic Structure Theory, Edited by:Schaefer, H. F., III. Vol. 3, 339New York:Plenum Press.
36. Pople, J. A., and Beveridge, D. L., 1970. Approximate Molecular Orbital Theory, 111New York:McGraw-Hill.
37. Hehre, W. H., Ditchfield, R., and Pople, J. A., 1972. J. chem. Phys., 56:2257
38. van Duijneveldt, F. B., 1971. IBM Res. Rep., 945