On exact and approximate exchange-energy densities

Journal of Chemical Physics

Volumn 110, Issue 19, 1999, Pages 9360-9370

  Springborg, Michael ^a,b   Dahl, Jens Peder ^b  

^a UNIVERSITY OF KONSTANZ   (Germany)

^b TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000220058     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.478947     Document Type: Article

References (35)

1. Density-Functional Methods in Chemistry and Materials Science, edited by M. Springborg (Wiley, Chichester, 1997).
2. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964).
3. W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
4. C. Filippi, X. Gonze, and C. J. Umrigar, in Recent Developments and Applications of Density Functional Theory, edited by J. M. Seminario (Elsevier, Amsterdam, 1996).
5. O. V. Gritsenko, R. van Leeuwen, and E. J. Baerends, J. Chem. Phys. 104, 8535 (1996).
6. R. Q. Hood, M. Y. Chou, A. J. Williamson, G. Rajagopal, R. J. Needs, and W. M. C. Foulkes, Phys. Rev. Lett. 78, 3350 (1997).
7. M. Springborg and J. P. Dahl, in Local Density Approximations in Quantum Chemistry and Solid State Physics, edited by J. P. Dahl and J. Avery (Plenum, New York, 1984).
8. S. K. Ghosh and R. G. Parr, Phys. Rev. A 34, 785 (1986).
9. K. Burke and J. P. Perdew, Int. J. Quantum Chem. 56, 199 (1995).
10. A. Zupan, K. Burke, M. Ernzerhof, and J. P. Perdew, J. Chem. Phys. 106, 10184 (1997).
11. J. P. Perdew, M. Ernzerhof, A. Zupan, and K. Burke, J. Chem. Phys. 108, 1522 (1998).
12. F. G. Cruz, K.-C. Lam, and K. Burke, J. Phys. Chem. A 102, 4911 (1998).
13. K. Burke, F. G. Cruz, and K.-C. Lam, J. Chem. Phys. 109, 8161 (1998).
14. L. Cohen, J. Math. Phys. 7, 781 (1966).
15. M. Springborg, J. Phys. A 16, 535 (1983).
16. J. P. Dahl, Theor. Chim. Acta 81, 319 (1992).
17. J. P. Dahl, Phys. Scr. 25, 499 (1982).
18. E. P. Wigner, Phys. Rev. 40, 749 (1932).
19. J. P. Dahl, in Energy Storage and Redistribution in Molecules, edited by J. Hinze (Plenum, New York, 1995).
20. M. Springborg and J. P. Dahl (unpublished).
21. J. P. Dahl and B. Amstrup, J. Mol. Struct.: THEOCHEM 261, 345 (1992).
22. S. Huzinaga and M. Klobukowski, Chem. Phys. Lett. 212, 260 (1993).
23. U. von Barth and L. Hedin, J. Phys. C 5, 1629 (1972).
24. J. D. Talman, Special Functions: A Group Theoretical Approach (Benjamin, New York, 1968).
25. O. Gritsenko, R. van Leeuwen, and E. J. Baerends, J. Chem. Phys. 101, 8955 (1994).
26. J. C. Slater, Phys. Rev. 81, 385 (1951).
27. R. Gáspár, Acta Phys. Acad. Sci. Hung. 3, 263 (1954).
28. L. J. Sham, in Computational Methods in Band Theory, edited by P. Marcus, J. F. Janak, and A. R. Williams (Plenum, New York, 1971).
29. S. Perdew and Wang Yue, Phys. Rev. B 33, 8800 (1986).
30. A. D. Becke, J. Chem. Phys. 85, 7184 (1986).
31. A. E. DePristo and J. R. Kress, J. Chem. Phys. 86, 1425 (1987).
32. A. D. Becke, Phys. Rev. A 38, 3098 (1988).
33. J. Perdew, in Electronic Structure of Solids, edited by P. Ziesche and H. Eschrig (Akademie, Berlin, 1991).
34. D. J. Tozer, N. C. Handy, and W. H. Green, Chem. Phys. Lett. 273, 183 (1997).
35. P. J̈emmer and P. J. Knowles, Phys. Rev. A 51, 3571 (1995).