Ensuring Proper Short-Range and Asymptotic Behavior of the Exchange-Correlation Kohn-Sham Potential by Modeling with a Statistical Average of Different Orbital Model Potentials

International Journal of Quantum Chemistry

Volumn 76, Issue 3, 2000, Pages 407-419

  Gritsenko, O V ^a   Schipper, P R T ^a   Baerends, E J ^a  

^a VU UNIVERSITY AMSTERDAM   (Netherlands)

Author keywords

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Indexed keywords

EID: 0002277874     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(2000)76:3<407::AID-QUA9>3.0.CO;2-A     Document Type: Article

References (36)

1. Salmon, L. S.; Birss, F. W.; Ruedenberg, K. J Chem Phys 1968, 49, 4293.
2. Levy, M.; Perdew, J. P.; Sahni, V. Phys Rev A 1984, 30, 2745.
3. Almbladh, C. O.; Pedroza, A. C. Phys Rev A 1984, 29, 2322.
4. Almbladh, C. O.; von Barth, U. Phys Rev B 1985, 31, 3231.
5. van Leeuwen, R.; Baerends, E. J. Phys Rev A 1994, 49, 2421.
6. Perdew, J. P.; Parr, R. G.; Levy, M.; Balduz, J. L. Phys Rev Lett 1982, 49, 1691.
7. Perdew, J. P.; Levy, M. Phys Rev Lett 1983, 51, 1884.
8. Perdew, J. P. In Density Functional Methods in Physics; Dreizler, R. M.; da Providencia, J., Eds.; Plenum Press: New York, 1985; Vol. 123; p. 265.
9. Tozer, D. J.; Handy, N. C. J Chem Phys 1998, 108, 2545.
10. van Leeuwen, R.; Baerends, E. J. Phys Rev A 1995, 51, 170.
11. Gritsenko, O. V.; Van Leeuwen, R.; Baerends, E. J. Int J Quant Chem 1997, 61, 231.
12. Tozer, D. J.; Handy, N. C. J Chem Phys 1998, 109, 10180.
13. Slater, J. C.; Wood, J. H. Int J Quant Chem 1971, 4, S3.
14. Janak, J. F. Phys Rev A 1978, 18, 7165.
15. Almbladh, C. O.; von Barth, U. In Density Functional Methods in Physics; Dreizler, R. M.; da Providencia, J., Eds.; Plenum Press: New York, 1985; Vol. 123; p. 209.
16. Van Leeuwen, R.; Gritsenko, O. V.; Baerends, E. J. Top Curr Chem 1996, 180, 107.
17. Mermin, N. D. Phys Rev 1965, 137, A1441.
18. Krieger, J. B.; Li, Y.; Iafrate, G. J. Phys Rev A 1992, 46, 5453.
19. Abramowitz, M.; Stegun, I. A. Handbook of Mathematical Functions; Dover: New York, 1965.
20. Herman, F.; van Dyke, J. P.; Ortenburger, I. B. Phys Rev Lett 1969, 22, 807.
21. Becke, A. Phys Rev A 1988, 38, 3098.
22. Perdew, J. P.; Burke, K.; Wang, Y. Phys Rev B 1996, 54, 16533.
23. Perdew, J. P. In Electronic Structure of Solids; Ziesche, P.; Eschrig, H., Eds. Akademie Verlag: Berlin, 1991; p. 11.
24. Perdew, J. P.; Chevary, J. A.; Vosko, S. H.; Jackson, K. A.; Pederson, M. R.; Singh, D. J.; Fiolhais, C. Phys Rev B 1992, 46, 6671.
25. van Gisbergen, S. J. A.; Osinga, V. P.; Gritsenko, O. V.; van Leeuwen, R.; Snijders, J. G.; Baerends, E. J. J Chem Phys 1996, 105, 3142.
26. Osinga, V. P.; van Gisbergen, S. J. A.; Snijders, J. G.; Baerends, E. J. J Chem Phys 1997, 106, 5091.
27. van Gisbergen, S. J. A.; Snijders, J. G.; Baerends, E. J. Phys Rev Lett 1997, 78, 3097.
28. Casida, M. E.; Jamorski, C.; Casida, K. C.; Salahub, D. R. J Chem Phys 1998, 108, 4439.
29. Gritsenko, O. V.; van Leeuwen, R.; van Lenthe, E.; Baerends, E. J. Phys Rev A 1995, 51, 1944.
30. van Leeuwen, R.; Gritsenko, O. V.; Baerends, E. J. Z Phys D 1995, 33, 229.
31. Levy, M.; Perdew, J. P. Phys Rev A 1985, 32, 2010.
32. Perdew, J. P. Phys Lett A 1992, 165, 1167.
33. Görling, A.; Levy, M.; Perdew, J. P. Phys Rev B 1993, 47, 1167.
34. Zhao, Q.; Morrison, R. C.; Parr, R. G. Phys Rev A 1994, 50, 2138.
35. Morrison, R. C.; Zhao, Q. Phys Rev A 1995, 51, 1980.
36. Krieger, J. B.; Li, Y.; Iafrate, G. J. Phys Rev A 1992, 45, 101.