Kinetic energy density dependent approximations to the exchange energy

Journal of Chemical Physics

Volumn 111, Issue 3, 1999, Pages 911-915

  Ernzerhof, Matthias ^a   Scuseria, Gustavo E ^a  

^a RICE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001453463     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.479374     Document Type: Article

References (37)

1. W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
2. M. Levy, Proc. Natl. Acd. Sci. USA 76, 6062 (1979).
3. M. Levy, Phys. Rev. A 26, 1200 (1982).
4. A. D. Becke, Int. J. Quantum Chem. 23, 1915 (1983).
5. A. D. Becke and M. R. Roussel, Phys. Rev. A 39, 3761 (1989).
6. T. Van Voorhis and G. E. Scuseria, J. Chem. Phys. 109, 400 (1998).
7. A. D. Becke, J. Chem. Phys. 109, 2092 (1998).
8. J. P. Perdew and Y. Wang, Phys. Rev. B 33, 8800 (1986).
9. A. D. Becke, Phys. Rev. A 38, 3098 (1988).
10. J. P. Perdew, in Electronic Structure of Solids' 91, edited by P. Ziesche and H. Eschrig (Akademie, Berlin, 1991).
11. J. P. Perdew, K. Burke, and Y. Wang, Phys. Rev. B 54, 16533 (1996).
12. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996);
13. Phys. Rev. Lett. 78, 1396 (1997)(E).
14. J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B 46, 6671 (1992);
15. Phys. Rev. B 48, 4978 (1993)(E).
16. M. Ernzerhof and J. P. Perdew, J. Chem. Phys. 109, 3313 (1998).
17. M. Ernzerhof, K. Burke, and J. P. Perdew, in Recent Developments and Applications of Modern Density Functional Theory, Theoretical and Computational Chemistry, edited by J. M. Seminario (Elsevier, Amsterdam, 1997).
18. A. D. Becke, J. Chem. Phys. 98, 1372 (1993).
19. A. D. Becke, J. Chem. Phys. 98, 5648 (1993).
20. A. D. Becke, J. Chem. Phys. 104, 1040 (1996).
21. J. P. Perdew, M. Ernzerhof, and K. Burke, J. Chem. Phys. 105, 9982 (1996).
22. M. Ernzerhóf, J. P. Perdew, and K. Burke, Int. J. Quantum Chem. 64, 285 (1997).
23. M. Ernzerhof, Chem. Phys. Lett. 263, 499 (1996).
24. K. Burke, M. Ernzerhof, and J. P. Perdew, Chem. Phys. Lett. 265, 115 (1997).
25. M. Ernzerhof, in Density Functionals: Theory and Applications, Lecture Notes in Physics Vol. 500, edited by D. P. Joubert (Springer, Berlin, 1998).
26. H. L. Schmider and A. D. Becke, J. Chem. Phys. 108, 9624 (1998).
27. J. P. Perdew, S. Kurth, A. Zupan, and P. Blaha, Phys. Rev. Lett. 82, 2544 (1999).
28. J. P. Perdew, M. Ernzerhof, A. Zupan, and K. Burke, J. Chem. Phys. 108, 1522 (1998).
29. R. Neumann and N. Handy, Chem. Phys. Lett. 246, 381 (1995).
30. R. Neumann, R. Nobes, and N. Handy, Mol. Phys. 87, 1 (1996).
31. A. D. Becke, Int. J. Quantum Chem. 28, 625 (1994).
32. J. W. Negele and D. Vautherin, Phys. Rev. C 11, 1031 (1972).
33. T. Ziegler, A. Rauk, and E. J. Baerends, Theor. Chim. Acta 43, 261 (1977).
34. M. Ernzerhof and G. E. Scuseria, J. Chem. Phys. 110, 5029 (1999).
35. J. P. Perdew, Phys. Lett. A 165, 79 (1992).
36. C. F. von Weizsäcker, Z. Phys. 96, 431 (1935).
37. M. Brack, B. K. Jennings, and Y. H. Chu, Phys. Rev. Lett. 65B, 1 (1976).