Asymptotic Behavior of the Kohn-Sham Exchange Potential

Physical Review Letters

Volumn 89, Issue 3, 2002, Pages

  Della Sala, Fabio ^a   Görling, Andreas ^a  

^a TECHNICAL UNIVERSITY OF MUNICH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CARRIER CONCENTRATION; DIFFERENTIAL EQUATIONS; EIGENVALUES AND EIGENFUNCTIONS; ELECTRIC POTENTIAL; GROUND STATE; QUANTUM THEORY;

DENSITY FUNCTIONAL THEORY (DFT);

MOLECULAR DYNAMICS;

EID: 0037100866     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.89.033003     Document Type: Article

References (22)

1. R. G. Parr and W. Yang, Density-Functional Theory of Atoms and Molecules (Oxford University Press, Oxford,1989).
2. W. Koch and M. C. Holthausen, A Chemist's Guide to Density Functional Theory (Wiley-VCH, New York,2000).
3. E. K. U. Gross, J. F. Dobson, and M. Petersilka, in Density Functional Theory II, R. F. Nalewajski, Springer Series in Topics in Current Chemistry Vol. 181 (Springer, Berlin,1996), p. 81.
4. M. E. Casida, in Recent Advances in Density Functional Methods, D. P. Chong (World Scientific, Singapore,1995), Vol. 1, p. 155.
5. L. Veseth, J. Chem. Phys. 114, 8789 (2001).
6. T. Hupp, B. Engels, F. Della Sala, and A. Görling, Chem. Phys. Lett. (to be published).
7. R. van Leeuwen and E. J. Baerends, Phys. Rev. A 49, 2421 (1994).
8. P. R. T. Schipper, O. V. Gritsenko, S. J. A. van Gisbergen, and E. J. Baerends, J. Chem. Phys. 112, 1344 (2000).
9. D. J. Tozer and N. C. Handy, J. Chem. Phys. 109, 10 180 (1998).
10. M. E. Casida and D. R. Salahub, J. Chem. Phys. 113, 8918 (2000).
11. M. Levy, J. P. Perdew, and V. Sahni, Phys. Rev. A 30, 2745 (1984), and references therein.
12. C.-O. Almbladh and U. von Barth, Phys. Rev. B 31, 3231 (1985).
13. F. Della Sala and A. Görling, J. Chem. Phys. 115, 5718 (2001).
14. T. Kreibich, S. Kurth, T. Grabo, and E. K. U. Gross, Adv. Quantum Chem. 33, 31 (1999).
15. A. Görling, Phys. Rev. Lett. 83, 5459 (1999).
16. S. Ivanov, S. Hirata, and R. J. Bartlett, Phys. Rev. Lett. 83, 5455 (1999).
17. J. B. Krieger, Y. Li, and G. J. Iafrate, Phys. Rev. A 46, 5453 (1992).
18. F. Della Sala and A. Görling, J. Chem. Phys. 116, 5374 (2002).
19. R. Ahlrichs, Chem. Phys. Lett. 162, 165 (1989).
20. A. D. Becke, Phys. Rev. A 38, 3098 (1988).
21. F. Della Sala and A. Görling, Int. J. Quantum Chem (to be published).
22. M. E. Casida, Phys. Rev. A 51, 2005 (1995).