Quasidegenerate second-order perturbation corrections to single-excitation configuration interaction

Molecular Physics

Volumn 96, Issue 4, 1999, Pages 593-602

  Head Gordon, Martin ^a,b   Oumi, Manabu ^a,b   Maurice, David ^a,b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0002164054     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268979909482996     Document Type: Article

References (34)

1. Del Bene, J., Ditchfield, R., and Pople, J. A., 1971. J. chem. Phys., 55:2236
2. Foresman, J. B., Head-Gordon, M., Pople, J. A., and Frisch, M. J., 1992. J. phys. Chem., 96:135
3. Maurice, D., and Head-Gordon, M., 1996. J. phys. Chem., 100:6131
4. Møller, C., and Plesset, M. S., 1934. Phys. Rev., 46:618
5. Head-Gordon, M., Rico, R. J., Oumi, M., and Lee, T. J., 1994. Chem. Phys. Lett., 219:21
6. Head-Gordon, M., Maurice, D., and Oumi, M., 1995. Chem. Phys. Lett., 246:114
7. Oumi, M., Maurice, D., Lee, T. J., and Head-Gordon, M., 1997. Chem. Phys. Lett., 279:151
8. Christiansen, O., Koch, H., and Jørgensen, P., 1995. Chem. Phys. Lett., 243:409
9. Christiansen, O., Koch, H., Jørgensen, P., and Helgaker, T., 1996. Chem. Phys. Lett., 263:530
10. Gwaltney, S. R., Nooijen, M., and Bartlett, R. J., 1996. Chem. Phys. Lett., 248:189
11. Head-Gordon, M., and Lee, T. J., 1997. Recent Advances in Coupled-Cluster Methods, 221Singapore:World Scientific.
12. Nooijen, M., and Bartlett, R. J., 1997. J. chem. Phys., 106:6441
13. Nooijen, M., and Bartlett, R. J., 1997. J. chem. Phys., 106:6449
14. Nooijen, M., and Bartlett, R. J., 1997. J. chem. Phys., 107:6812
15. Reguero, M., Caballol, R., Heully, J. L., and Malrieu, J. P., 1997. Chem. Phys. Lett., 265:621
16. Frisch, M. J., Head-Gordon, M., and Pople, J. A., 1960. Chem. Phys. Lett., 166:281
17. Head-Gordon, M., 1999. Molec. Phys., 96:673
18. Oumi, M. and Head-Gordon, M. Spectrochim. Acta
19. Koch, H., and Jørgensen, P., 1990. J. chem. Phys., 93:3333
20. Koch, H., Jensen, H. J. Aa., Jørgensen, P., and Helgaker, T., 1990. J. chem. Phys., 93:3345
21. Stanton, J. F., and Bartlett, R. J., 1993. J. chem. Phys., 98:7029
22. Koch, H., Christiansen, O., Jørgensen, P., and Olsen, J., 1995. Chem. Phys. Lett., 244:75
23. Watts, J. D., and Bartlett, R. J., 1994. J. chem. Phys., 101:3073
24. Davidson, E. R., 1975. J. comput. Phys., 22:571
25. Hirao, K., and Nakatsuji, H., 1982. J. comput. Phys., 45:246
26. Frisch, M. J., Head-Gordon, M., and Pople, J. A., 1990. Chem. Phys. Lett., 166:275
27. Head-Gordon, M., Pople, J. A., and Frisch, M. J., 1988. Chem. Phys. Lett., 153:503
28. Head-Gordon, M., Grana, A. M., Maurice, D., and White, C. A., 1995. J. phys. Chem., 99:14261
29. White, C. A., Kong, J., Maurice, D. R., Adams, T. R., Baker, J., Challacombe, M., Schwegler, E., Dombroski, J. P., Ochsenfeld, C., Oumi, M., Furlani, T. R., Florian, J., Adamson, R. D., Nair, N., Lee, A. M., Ishikawa, N., Graham, R. L., Warshal, A., Johnson, B. G., Gill, P. M. W., and Head-Gordon, M., 1998. Q-Chem, Version 1.2, Pittsburgh, PA:Q-Chem Inc.
30. Lee, T. J., Rendell, A. P. and Rice, J. E.
31. Rico, R. J., and Head-Gordon, M., 1993. Chem. Phys. Lett., 213:224
32. Graana, A. M., Lee, T. J., and Head-Gordon, M., 1995. J. phys. Chem., 99:3493
33. Stanton, J. F., Gauss, J., Ishikawa, N., and Head-Gordon, M., 1995. J. chem. Phys., 103:4160
34. Christiansen, O., Koch, H., and Jørgensen, P., 1995. J. chem. Phys., 103:7429