Variational density-functional theory for an individual excited state

Physical Review Letters

Volumn 83, Issue 21, 1999, Pages 4361-4364

  Levy, Mel ^a   Nagy, Ágnes ^b  

^a Tulane University   (United States)

^b UNIVERSITY OF DEBRECEN   (Hungary)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000947119     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.83.4361     Document Type: Article

References (48)

1. P. Hohenberg, and W. Kohn, Phys. Rev. 136, B864, (1964).
2. W. Kohn, and L. J. Sham, Phys. Rev. 140, A1133, (1965).
3. R. G. Parr, and W. Yang, Density-Functional Theory of Atoms and Molecules, (Oxford University Press, Oxford, 1989).
4. R. M. Dreizler, and E. K. U. Gross, Density Functional Theory, (Springer-Verlag, Berlin, 1990).
5. Theory and Applications, D. Joubert, (Springer-Verlag, Berlin, 1998) with an overview chapter by J. P. Perdew, and S. Kurth.
6. Á. Nagy, Phys. Rep. 398, 1, (1998).
7. O. Gunnarsson, and B. I. Lundqvist, Phys. Rev. B. 13, 4274, (1976).
8. T. Ziegler, A. Rauk, and B. J. Baerends, Theor. Chim. Acta. 43, 261, (1977).
9. U. von Barth, Phys. Rev. A. 20, 163, (1979).
10. U. von Barth, Phys. Scr. A. 21, 585, (1980).
11. A. Theophilou, J. Phys. C. 12, 5419, (1979).
12. O. Gunnarsson, and R. O. Jones, J. Chem. Phys. 72, 5357, (1980).
13. Z. H. Levine, and P. Soven, Phys. Rev. A. 29, 625, (1984).
14. M. Levy, and J. P. Perdew, in Density Functional Methods in Physics, R. M. Dreizler, and J. da Providencia, (Plenum, New York, 1985).
15. E. H. Lieb, in Density Functional Methods in Physics, Phys. Rev. A.
16. W. Kohn, Phys. Rev. A. 34, 737, (1986).
17. E. K. U. Gross, L. N. Oliviera, and W. Kohn, Phys. Rev. A. 37, 2809, (1988).
18. M. Levy, Phys. Rev. A. 52, R4313, (1995).
19. Á. Nagy, J. Phys. B. 29, 389, (1996).
20. A. Görling, Phys. Rev. A. 54, 3912, (1996).
21. M. Petersilka, U. J. Grossmann, and E. K. U. Gross, Phys. Rev. Lett. 76, 1212, (1996).
22. A. Savin, C. J. Umrigar, and X. Gonze, in Electronic Density Functional Theory: Recent Progress and New Directions, J. F. Dobson, G. Vignale, and M. P. Das, (Plenum, New York, 1997).
23. C. Filippi, C. J. Umrigar, and X. Gonze, J. Chem. Phys. 107, 9994, (1997).
24. Á. Nagy, Int. J. Quantum Chem. 70, 681, (1998).
25. R. van Leeuwen, Phys. Rev. Lett. 80, 1280, (1998).
26. M. E. Casida, C. Jamorski, K. C. Casida, and D. R. Salahub, J. Chem. Phys. 108, 5134, (1998).
27. J. P. Perdew, R. G. Parr, M. Levy, and J. L. Balduz, Jr. Phys. Rev. Lett. 49, 1691, (1982).
28. J. P. Perdew, and M. Levy, Phys. Rev, B. 56, 16 021, (1997).
29. M. Levy, J. P. Perdew, and V. Sahni, Phys. Rev. A. 30, 2745, (1984).
30. C. O. Almbladh, and U. von Barth, Phys. Rev. B. 31, 3231, (1985).
31. U. von Barth, in Many-Body Phenomena at Surfaces, D. C. Langreth, and H. Suhl, (Academic, New York, 1984).
32. J. Katriel, and E. R. Davidson, Natl. Acad. Sci. U.S.A. 77, 4403, (1980).
33. J. B. Krieger, Y. Li, and G. J. Iafrate, Phys. Rev. A. 45, 101, (1992).
34. J. B. Krieger, Y. Li, G. J. Iafrate, Phys. Rev. A. 46, 5453, (1992).
35. M. Levy, and A. Görling, Phys. Rev. A. 53, 3140, (1996).
36. J. P. Perdew, in Density Functional Methods in Physics, Phys. Rev. A.
37. A. Görling, and M. Levy, Phys. Rev. B. 47, 13 105, (1993).
38. A. Görling, M. Levy, Int. J. Quantum Chem. S29, 93, (1995).
39. Á. Nagy, Phys. Rev. A. 57, 1672, (1998).
40. M. Levy, and A. Görling, Phys. Rev. B. 53, 969, (1996).
41. J. E. Harriman, Phys. Rev. A. 24, 680, (1981).
42. G. Zumbach, and K. Maschke, Phys. Rev. A. 28, 544, (1983).
43. A. Görling, Phys. Rev. A. 59, 3359, (1999).
44. X. Gonze, and M. Scheffler, Phys. Rev. Lett. 82, 4416, (1999).
45. D. J. Tozer, and N. C. Handy, J. Chem. Phys. 109, 10 180, (1998).
46. S. J. A. van Gisbergen, et al. Phys. Rev. A. 57, 2556, (1998).
47. S. Hirata, and M. Head-Gordon, Chem. Phys. Lett. (to be published).
48. C. E. Moore, Atomic Energy Levels, Circular 467 (National Bureau of Standards, Washington, D.C. 1949).