An exact second-order expression for the density functional theory correlation potential for molecules

Journal of Chemical Physics

Volumn 114, Issue 5, 2001, Pages 1952-1955

  Ivanov, Stanislav ^a   Bartlett, Rodney J ^a  

^a UNIVERSITY OF FLORIDA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CONVERGENCE OF NUMERICAL METHODS; CORRELATION METHODS; PROBABILITY DENSITY FUNCTION;

SECOND-ORDER CORRELATION POTENTIAL;

MOLECULAR PHYSICS;

EID: 0034817976     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1342809     Document Type: Article

References (33)

1. J. D. Talman and W. F. Shawwick, Phys. Rev. A 14, 36 (1976).
2. J. B. Krieger, Y. Li, and G. J. lafrate, Phys. Rev. A 45, 101 (1992).
3. M. Städele, J. A. Majewski, P. Vogl, and A. Görling, Phys. Rev. Lett. 7, 2089 (1997).
4. S. Ivanov, S. Hirata, and R. J. Bartlett, Phys. Rev. Lett. 83, 5455 (1999).
5. A. Görling, Phys. Rev. Lett. 83, 5459 (1999).
6. W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
7. R. G. Parr and W. Yang, Density Functional Theory of Atoms and Molecules (Oxford University Press, New York, 1989), and references therein.
8. R. M. Dreizler and E. K. U. Gross, Density Functional Theory (Springer, Berlin, 1990), and references therein.
9. T. Grabo, T. Kreibich, S. Kurth, and E. K. U. Gross, in The Strong Coulomb Correlations and Electronic Structure Calculations: Beyond Local Density Approximations, edited by V. Asimov (Gordon and Breach, Amsterdam, 1999).
10. J. B. Krieger, Y. Li, and G. J. lafrate, Phys. Rev. A 46, 5453 (1992),
11. and in Density Functional Theory, edited by E. K. U. Gross and R. M. Dreizler
12. [NATO ASI, Ser. B 337, 1995].
13. R. J. Bartlett, in Chemistry for the 21st Century, edited by E. Keinan and Schechter (Wiley VCH, Weinheim, 2000).
14. C. J. Umrigar and X. Gonze, Phys. Rev. A 50, 3827 (1994).
15. S. Ivanov, R. Lopez-Boada, A. Görling, and M. Levy, J. Chem. Phys. 109, 6280 (1998).
16. S. Ivanov, K. Burke, and M. Levy, J. Chem. Phys. 110, 10262 (1999).
17. S. Ivanov and R. J. Bartlett, Chem. Phys. Lett. 308, 449 (1999).
18. R. J. Bartlett, in Modem Electronic Structure Theory, edited by D. R. Yarkony (World Scientific, Singapore, 1995).
19. A. Görling and M. Levy, Phys. Rev. B 47, 13105 (1993).
20. For a review of Görling-Levy perturbation theory see M. Levy, S. Ivanov, and A. Görling, in Electronic Density Functional Theory: Recent Progress and New Directions, edited by J. F. Dobson, G. Vignale, and M. P. Das (Plenum, New York, 1998).
21. A. Görling and M. Levy, Int. J. Quantum Chem. 29, 93 (1995);
22. M. Levy and A. Görling, Phys. Rev. A 51, 2851 (1995).
23. S. Liu and R. G. Parr, Phys. Rev. A 53, 2211 (1996).
24. M. Levy and J. P. Perdew, Phys. Rev. A 32, 2010 (1985).
25. S. Ivanov and M. Levy, J. Phys. Chem. 102, 3151 (1998);
26. Theor. Chem. Ace. 103, 117 (1999).
27. D. C. Langreth and J. P. Perdew, Solid State Commun. 17, 1425 (1975).
28. O. Gunnarsson and B. I. Lundqvist, Phys. Rev. B 13, 4274 (1976).
29. M. Levy, Phys. Rev. A 43, 4637 (1991), and references therein.
30. M. Levy, Proc. Natl. Acad. Sei. U.S.A. 76, 6062 (1979);
31. Bull. Am. Phys. Soc. 24, 626 (1979).
32. M. Levy, Phys. Rev. A 26, 1200 (1982).
33. X. Gonze and M. Scheffler, Phys. Rev. Lett. 82, 4416 (1999).