Time-dependent density-functional theory based on optimized effective potentials for van der Waals forces

Journal of Chemical Physics

Volumn 123, Issue 2, 2005, Pages

  Hirata, So ^a  

^a University of Florida   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION TREATMENT; DENSITY-FUNCTIONAL THEORY; SECOND ORDER PERTURBATION THEORY; TIME-DEPENDENT DENSITY-FUNCTIONAL THEORY;

APPROXIMATION THEORY; INTEGRAL EQUATIONS; PERTURBATION TECHNIQUES; POLARIZATION; PROBABILITY DENSITY FUNCTION; PROBLEM SOLVING;

VAN DER WAALS FORCES;

EID: 23444439449     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1949196     Document Type: Article

References (26)

1. K. Rapcewicz and N. W. Ashcroft, Phys. Rev. B 44, 4032 (1991).
2. J. M. Ṕrez-Jordá and A. D. Becke, Chem. Phys. Lett. 233, 134 (1995).
3. Y. Andersson, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 76, 102 (1996).
4. J. F. Dobson and B. P. Dinte, Phys. Rev. Lett. 76, 1780 (1996).
5. Y. Zhang, W. Pan, and W. Yang, J. Chem. Phys. 107, 7921 (1997).
6. D. C. Patton and M. R. Pederson, Phys. Rev. A 56, R2495 (1997).
7. W. Kohn, Y. Meir, and D. E. Makarov, Phys. Rev. Lett. 80, 4153 (1998).
8. Q. Wu and W. Yang, J. Chem. Phys. 116, 515 (2002).
9. M. Kamiya, T. Tsuneda, and K. Hirao, J. Chem. Phys. 117, 6010 (2002).
10. A. J. Misquitta, B. Jeziorski, and K. Szalewicz, Phys. Rev. Lett. 91, 033201 (2003).
11. J. Tao and J. P. Perdew, J. Chem. Phys. 122, 114102 (2005).
12. I. Grabowski, S. Hirata, S. Ivanov, and R. J. Bartlett, J. Chem. Phys. 116, 4415 (2002).
13. S. Ivanov, S. Hirata, and R. J. Bartlett, Phys. Rev. Lett. 83, 5455 (1999).
14. J. D. Talman and W. F. Shadwick, Phys. Rev. A 14, 36 (1976).
15. V. F. Lotrich, R. J. Bartlett, and I. Grabowski, Chem. Phys. Lett. 405, 43 (2005).
16. S. J. A. van Gisbergen, J. G. Snijders, and E. J. Baerends, J. Chem. Phys. 103, 9347 (1995).
17. I. Adamovic and M. S. Gordon, Mol. Phys. 103, 379 (2005).
18. R. Bauernschmitt and R. Ahlrichs, Chem. Phys. Lett. 256, 454 (1996).
19. B. Champagne, E. A. Perp̀te, D. Jacquemin, S. J. A. van Gisbergen, E.-J. Baerends, C. Soubra-Ghaoui, K. A. Robins, and B. Kirtman, J. Phys. Chem. A 104, 4755 (2000).
20. S. Hirata, S. Ivanov, I. Grabowski, and R. J. Bartlett, J. Chem. Phys. 116, 6468 (2002).
21. S. Hirata, S. Ivanov, R. J. Bartlett, and I. Grabowski, Phys. Rev. A 71, 032507 (2005).
22. M. Lein, J. F. Dobson, and E. K. U. Gross, J. Comput. Chem. 20, 12 (1999).
23. A. D. Becke, Phys. Rev. A 38, 3098 (1988).
24. C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988).
25. A. D. Becke, J. Chem. Phys. 98, 5648 (1993).
26. S. H. Vosko, L. Wilk, and M. Nusair, Can. J. Phys. 58, 1200 (1980).