An exchange functional for accurate virtual orbital energies

Journal of Chemical Physics

Volumn 112, Issue 16, 2000, Pages 7002-7007

  Manby, F R ^a   Knowles, P J ^a  

^a UNIVERSITY OF BIRMINGHAM   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000163344     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.481298     Document Type: Article

References (25)

1. W. Kohn and L. J. Sham, Phys. Rev. A 140, 1133 (1965).
2. M. E. Caswida, C. Jamorski, K. C. Casida, and D. R. Salahub, J. Chem. Phys. 108, 4439 (1998).
3. S. A. C. Mcdowell, R. D. Amos, and N. C. Handy, Chem. Phys. Lett. 235, 1 (1995).
4. A. D. Becke, J. Chem. Phys. 98, 1372 (1993).
5. A. D. Becke, J. Chem. Phys. 98, 5648 (1993).
6. A. D. Becke, Phys. Rev. A 38, 3098 (1988).
7. J. P. Perdew and W. Yue, Phys. Rev. B 33, 8800 (1986).
8. X. Hua, X. Chen, and W. A. Goddard III, Phys. Rev. B 55, 16103 (1997).
9. D. J. Tozer and N. C. Handy, J. Chem. Phys. 109, 10180 (1998).
10. F. A. Hamprecht, A. J. Cohen, D. J. Tozer, and N. C. Handy, J. Chem. Phys. 109, 6264 (1998).
11. J. W. Negele and D. Vautherin, Phys. Rev. C 5, 1472 (1972).
12. J. Meyer, J. Bartel, M. Brack, P. Quentin, and S. Aicher, Phys. Lett. B 712, 122 (1986).
13. C. Lee and R. G. Parr, Phys. Rev. A 35, 2377 (1987).
14. A. D. Becke and M. R. Roussel, Phys. Rev. A 39, 3761 (1989).
15. G. J. Laming, N. C. Handy, and W. H. Miller, J. Phys. Chem. 99, 1880 (1995).
16. R. M. Koehl, G. K. Odom, and G. E. Scuseria, Mol. Phys. 87, 835 (1996).
17. F. R. Manby and P. J. Knowles, Chem. Phys. Lett. 296, 1 (1998).
18. S. K. Ghosh and R. G. Parr, Phys. Rev. A 35, 2377 (1986).
19. X. Campi and A. Bouyssy, Phys. Lett. B 73, 263 (1978).
20. P. A. M. Dirac, Proc. Cambridge Philos. Soc. 26, 376 (1930).
21. T. H. Dunning, J. Chem. Phys. 90, 1007 (1989).
22. R. A. Kendall, T. H. Dunning, Jr., and R. J. Harrison, J. Chem. Phys. 96, 6796 (1992).
23. F. R. Manby and P. J. Knowles, Chem. Phys. Lett. 310, 561 (1999).
24. F. R. Manby and P. J. Knowles, Chem. Phys. Lett. 304, 126 (1999), erratum.
25. P. J. Knowles, K. Somasundram, N. C. Handy, and K. Hirao, Chem. Phys. Lett. 113, 8 (1985).