Exchange kernel of density functional response theory from the common energy denominator approximation (CEDA) for the Kohn-Sham Green's function

Research on Chemical Intermediates

Volumn 30, Issue 1, 2004, Pages 87-98

  Gritsenko, O V ^a   Baerends, E J ^a  

^a VU UNIVERSITY AMSTERDAM   (Netherlands)

Author keywords

Electronic structure of atoms; Electronic structure of molecules; Exchange kernels; Exchange potentials; Orbital dependent functionals; Time dependent density functional theory

Indexed keywords

APPROXIMATION THEORY; CORRELATION METHODS; DIFFERENTIATION (CALCULUS); ELECTRIC FIELDS; GREEN'S FUNCTION; LINEAR EQUATIONS; MATRIX ALGEBRA; OPTIMIZATION;

ELECTRONIC STRUCTURE OF ATOMS; ELECTRONIC STRUCTURE OF MOLECULES; EXCHANGE KERNELS; EXCHANGE POTENTIALS; ORBITAL-DEPENDENT FUNCTIONALS; TIME-DEPENDENT DENSITY FUNCTIONAL THEORY;

ELECTRONIC STRUCTURE;

EID: 1642340166     PISSN: 09226168     EISSN: None     Source Type: Journal    
DOI: 10.1163/156856704322798070     Document Type: Article

References (20)

1. J. D. Talman and W. F. Shadwick, Phys. Rev. A 14, 36 (1976).
2. S. Ivanov, S. Hirata and R. J. Bartlett, Phys. Rev. Lett. 83, 5455 (1999).
3. A. Görling, Phys. Rev. Lett. 83, 5459 (1999).
4. J. B. Krieger, Y. Li and G. J. Iafrate, Phys. Rev. A 45, 101 (1992).
5. O. V. Gritsenko and E. J. Baerends, Phys. Rev. A 64, 042506 (2001).
6. M. Grüning, O. V. Gritsenko and E. J. Baerends, J. Chem. Phys. 116, 6435 (2002).
7. F. Della Sala and A. Görling, J. Chem. Phys. 115, 5718 (2001).
8. E. K. U. Gross and W. Kohn, Adv. Quant. Chem. 21, 255 (1990).
9. E. K. U. Gross, J. F. Dobson and M. Petersilka, Top. Curr. Chem. 181, 81 (1996).
10. M. Casida, in: Recent Advances in Density Functional Methods, Volume 1, D. P. Chong (Ed.), p. 155. World Scientific, Singapore (1995).
11. S. J. A. van Gisbergen, J. G. Snijders and E. J. Baerends, Comp. Phys. Commun. 118, 119 (1999).
12. M. Petersilka, U. J. Gossmann and E. K. U. Gross, Phys. Rev. Lett. 76, 1212 (1996).
13. R. van Leeuwen, O. V. Gritsenko and E. J. Baerends, Z. Phys. D 33, 229 (1995).
14. J. C. Slater, Phys. Rev. 91, 528 (1953).
15. E. J. Baerends and O. V. Gritsenko, J. Phys. Chem. A 101, 5383 (1997).
16. S. J. A. van Gisbergen, P. R. T. Schipper, O. V. Gritsenko, E. J. Baerends, J. G. Snijders, B. Champagne and B. Kirtman, Phys. Rev. Lett. 83, 694 (1999).
17. O. V. Gritsenko, S. J. A. van Gisbergen, P. R. T. Schipper and E. J. Baerends, Phys. Rev. A 62, 012507 (2000).
18. B. Champagne, D. H. Mosley, M. Vracko and J. M. Andre, Phys. Rev. A 52, 178 (1995).
19. B. Champagne and D. H. Mosley, J. Chem. Phys. 105, 3592 (1996).
20. O. V. Gritsenko, S. J. A. van Gisbergen, A. Görling and E. J. Baerends, J. Chem. Phys. 113, 8478 (2000).