Properties of the exchange hole under an appropriate coordinate transformation

Journal of Chemical Physics

Volumn 119, Issue 13, 2003, Pages 6457-6464

  Tao, Jianmin ^a   Springborg, Michael ^b   Perdew, John P ^a  

^a Tulane University   (United States)

^b SAARLAND UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE; ELECTRONS; KINETIC ENERGY; PROBABILITY DENSITY FUNCTION;

EXCHANGE HOLES;

QUANTUM THEORY;

EID: 0142052945     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1604377     Document Type: Article

References (35)

1. W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
2. R. G. Parr and W. Yang, Density Functional Theory of Atoms and Molecules (Oxford University Press, Oxford, 1989).
3. J. P. Perdew and S. Kurth, in Density Functionals: Theory and Application, edited by D. Joubert (Springer, Berlin, 1998).
4. W. Kohn, Rev. Mod. Phys. 71, 1253 (1999).
5. J. Tao, J. Chem. Phys. 115, 3519 (2001).
6. M. Springborg, Chem. Phys. Lett. 308, 83 (1999).
7. M. Springborg, J. P. Perdew, and K. Schmidt, Z. Phys. Chem. (Munich) 215, 1243 (2001).
8. J. W. Negele and D. Vautherin, Phys. Rev. C 5, 1472 (1972).
9. J. W. Negele and D. Vautherin, Phys. Rev. C 11, 1031 (1975).
10. C. Lee and R. G. Parr, Phys. Rev. A 35, 2377 (1987).
11. G. J. Laming, N. C. Handy, and W. H. Miller, J. Phys. Chem. 99, 1880 (1995).
12. J. Meyer, J. Bartel, M. Brack, P. Quentin, and S. Aicher, Phys. Lett. B 172, 122 (1986).
13. R. M. Koehl, G. K. Odom, and G. E. Scuseria, Mol. Phys. 87, 835 (1996).
14. T. Van Voorhis and G. E. Scuseria, J. Chem. Phys. 109, 400 (1998).
15. M. Springborg and J. P. Dahl, J. Chem. Phys. 110, 9360 (1998).
16. T. Tsuneda and K. Hirao, Phys. Rev. B 62, 15527 (2000).
17. J. P. Perdew and Y. Wang, Phys. Rev. B 33, 8800 (1986).
18. J. P. Perdew, in Electronic Structure of Solids '91, edited by P. Ziesche and H. Eschrig (Akademie Verlag, Berlin, 1991).
19. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).
20. J. P. Perdew, K. Burke, and Y. Wang, Phys. Rev. B 54, 16533 (1996).
21. J. P. Perdew, Phys. Rev. Lett. 55, 1665 (1985).
22. A. D. Becke, Phys. Rev. A 38, 3098 (1988).
23. A. D. Becke and M. R. Roussel, Phys. Rev. A 39, 3761 (1989).
24. J. Tao, J. P. Perdew, and K. Schmidt (unpublished).
25. K. Burke and J. P. Perdew, Mod. Phys. Lett. B 9, 829 (1995).
26. K. Burke, J. P. Perdew, and M. Ernzerhof, J. Chem. Phys. 109, 3760 (1998).
27. M. Berkowitz, Chem. Phys. Lett. 129, 486 (1986).
28. W. Kohn and A. E. Mattsson, Phys. Rev. Lett. 81, 3487 (1998).
29. O. Gunnarsson and B. I. Lundqvist, Phys. Rev. A 13, 4274 (1976).
30. K. Burke, F. G. Cruz, and K. C. Lam, J. Chem. Phys. 109, 8161 (1998).
31. R. Armiento and A. E. Mattsson, Phys. Rev. B 66, 165117 (2002).
32. G. L. Oliver and J. P. Perdew, Phys. Rev. B 20, 397 (1979).
33. J. P. Perdew, S. Kurth, A. Zupan, and P. Blaha, Phys. Rev. Lett. 82, 2544 (1999).
34. J. Tao, J. P. Perdew, V. Staroverov, and G. E. Scuseria, Phys. Rev. Lett. (to be published). (http://xxx.arXiv.org, cond-mat/0306203).
35. E. H. Lieb and S. Oxford, Int. J. Quantum Chem. 19, 427 (1981).