Decomposition of exchange-correlation energies

Chemical Physics Letters

Volumn 312, Issue 5-6, 1999, Pages 511-521

  Gilbert, Andrew T B ^a   Gill, Peter M W ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0004402016     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(99)00836-2     Document Type: Article

References (22)

1. Schmider H.L., Becke A.D. J. Chem. Phys. 108:1998;9624.
2. Tozer D.J., Handy N.C. J. Chem. Phys. 108:1998;2545.
3. Adamson R.D., Gill P.M.W., Pople J.A. Chem. Phys. Lett. 284:1998;6.
4. Becke A.D. Phys. Rev. A. 38:1988;3098.
5. Levy M., Gorling A. Phys. Rev. A. 53:1996;3140.
6. Dirac P.A.M. Proc. Cambridge Phil. Soc. 29:1930;376.
7. Vosko S.H., Wilk L., Nusair M. Can. J. Phys. 58:1980;1200.
8. P.M.W. Gill, J.A. Pople, Phys. Rev. A (1993) 2383.
9. Perdew J.P., Burke K., Ernzerhof M. Phys. Rev. B. 77:1996;3865.
10. Zupan A., Perdew J.P., Burke K., Causà M. Int. J. Quantum Chem. 61:1997;835.
11. Zupan A., Burke K., Ernzerhof M., Perdew J.P. J. Chem. Phys. 106:1997;10184.
12. Gill P.M.W., Johnson B.G., Pople J.A. Chem. Phys. Lett. 209:1993;506.
13. Gill P.M.W. Mol. Phys. 89:1996;433.
14. Lee C., Yang W., Parr R.G. Phys. Rev. B. 37:1988;785.
15. Kahn L.R., Baybutt P., Truhlar D.G. J. Chem. Phys. 65:1976;3826.
16. Krauss M., Stevens W.J. Ann. Rev. Phys. Chem. 35:1984;357.
17. Pople J.A., Adamson R.D., Gill P.M.W. J. Phys. Chem. 100:1996;6348.
18. C.A. White, J. Kong, D.R. Maurice, T.R. Adams, J. Baker, M. Challacombe, E. Schwegler, J.P. Dombroski, C. Ochsenfeld, M. Oumi, T.R. Furlani, J. Florian, R.D. Adamson, N. Nair, A.M. Lee, N. Ishikawa, R.L. Graham, A. Warshel, B.G. Johnson, P.M.W. Gill, M. Head-Gordon, Q-Chem, version 1.2, Q-Chem, Inc., Pittsburgh, PA, 1998.
19. Curtiss L.A., Raghavachari K., Tracks G.W., Pople J.A. J. Chem. Phys. 94:1991;7221.
20. Pople J.A., Gill P.M.W., Johnson B.G. Chem. Phys. Lett. 199:1992;557.
21. A.T.B. Gilbert, G.B.W. Gill, P.M.W. Gill, in preparation.
22. Ernzerhof M., Scuseria G.E. J. Chem. Phys. 110:1999;5029.