Second-order perturbative approximation to the SAC/SAC-CI method

Chemical Physics Letters

Volumn 300, Issue 1-2, 1999, Pages 1-8

  Nakajima, Takahito ^a,b,c   Nakatsuji, Hiroshi ^a,b,c  

^a KYOTO UNIVERSITY   (Japan)

^b UNIVERSITY OF TOKYO   (Japan)

^c INSTITUTE FOR FUNDAMENTAL CHEMISTRY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0033613602     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(98)01363-3     Document Type: Article

References (34)

1. Nakatsuji H., Hirao K. J. Chem. Phys. 68:1978;2053.
2. Nakatsuji H. Chem. Phys. Lett. 59:1978;362.
3. H. Nakatsuji, Chem. Phys. Lett. 67 (1979), 329, 334.
4. Nakatsuji H. Acta Chim. Hung. 129:1992;719.
5. H. Nakatsuji, in: J. Leszczynski (Ed.), Computational Chemistry - Reviews of Current Trends, vol. 2, World Scientific, Singapore, 1997, p.62.
6. Nakatsuji H. Prog. Surf. Sci. 53(4):1996;. and references therein.
7. Nakatsuji H., Hasegawa J., Hada M. J. Chem. Phys. 104:1996;2321.
8. Tokita Y., Nakatsuji H. J. Phys. Chem. B. 101:1997;3281. and references therein.
9. Nakatsuji H., Ehara M. J. Chem. Phys. 98:1993;7179.
10. Nakajima T., Nakatsuji H. Chem. Phys. Lett. 280:1997;79.
11. Stanton J.F., Bartlett R.J. J. Chem. Phys. 98:1993;7029.
12. Mukherjee D., Mukherjee P.K. Chem. Phys. 39:1979;325.
13. Koch H., Jørgensen P. J. Chem. Phys. 93:1990;3333.
14. Rico R.J., Head-Gordon M. Chem. Phys. Lett. 213:1993;224.
15. Hirao K. J. Chem. Phys. 79:1998;5000.
16. Stanton J.F., Gauss J. J. Chem. Phys. 103:1995;1064.
17. Gwaltney S.R., Nooijen M., Bartlett R.J. Chem. Phys. Lett. 248:1996;189.
18. Nooijen M., Snijders J.G. J. Chem. Phys. 102:1995;1681.
19. Møller C., Plesset M.S. Phys. Rev. 46:1934;618.
20. Löwdin P.-O. J. Mol. Spectrosc. 10:1963;12.
21. Christiansen O., Koch H., Jørgensen P. Chem. Phys. Lett. 243:1995;409.
22. M. Nooijen, R.J. Bartlett, J. Chem. Phys. 106 (1997) 6441, 6449.
23. Head-Gordon M., Rico R.J., Oumi M., Lee T.J. Chem. Phys. Lett. 219:1994;21.
24. Head-Gordon M., Maurice D., Oumi M. Chem. Phys. Lett. 246:1995;114.
25. Hirao K., Nakatsuji H. J. Comput. Phys. 45:1982;246.
26. H. Nakatsuji, M. Hada, M. Ehara, J. Hasegawa, T. Nakajima, H. Nakai, O. Kitao, K. Toyota, SAC/SAC-CI Program System (SAC-CI96) for Calculating Ground, Excited, Ionized, and Electron-attached States Having Singlet to Septet Spin Multiplicities, 1996.
27. Nakatsuji H. Chem. Phys. 75:1983;425.
28. M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T.A. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, J. Cioslowski, B.B. Stefanov, A. Nanayakkara, M. Challacombe, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. Defrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez, J.A. Pople, Gaussian 94 (revision B3), Gaussian, Inc., Pittsburgh, PA, 1995.
29. M. Dupuis, S.A. Maluendes, in: E. Clementi (Ed.), MOTECC Modern Techniques in Computational Chemistry 1991, ESCOM Science, Leiden, 1991.
30. Wiberg K.B., Hadad C.M., Foresman J.B., Chupka W.A. J. Phys. Chem. 96:1992;10756.
31. Hadad C.M., Foresman J.B., Wiberg K.B. J. Phys. Chem. 97:1993;4293.
32. Merchán M., Ortí E., Roos B.O. Chem. Phys. Lett. 226:1994;27.
33. A. Szabo, N.S. Ostlund, Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory, McGraw-Hill, New York, 1989.
34. Pickup B.T., Goscinski O. Mol. Phys. 26:1973;1013.