Current density in exchange-correlation functionals: Application to atomic states

Journal of Chemical Physics

Volumn 117, Issue 15, 2002, Pages 6935-6938

  Becke, Axel D ^a  

^a QUEEN S UNIVERSITY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ATOMS; BORON; CALCULATIONS; CHLORINE; CORRELATION METHODS; CURRENT DENSITY; ELECTRONS; PROBABILITY DENSITY FUNCTION;

ATOMIC STATES; DENSITY FUNCTIONAL THEORY; EXCHANGE CORRELATION FUNCTIONALS;

ELECTRON ENERGY LEVELS;

EID: 0037109546     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1503772     Document Type: Article

References (16)

1. A. D. Becke, J. Chem. Phys. 107, 8554 (1997)
2. A. D. Becke, J. Chem. Phys. 109, 2092 (1998)
3. H. L. Schmider and A. D. Becke, ibid. 108, 9624 (1998)
4. H. L. Schmider and A. D. Becke, J. Chem. Phys. 109, 8188 (1998).
5. L. A. Curtiss, K. Raghavachari, P. C. Redfern, and J. A. Pople, J. Chem. Phys. 106, 1063 (1997).
6. T. Ziegler, A. Rauk, and E. J. Baerends, Theor. Chim. Acta 43, 261 (1977).
7. A. D. Becke, A. Savin, and H. Stoll, Theor. Chim. Acta 91, 147 (1995).
8. A. D. Becke, Int. J. Quantum Chem. 27, 585 (1985).
9. A. D. Becke and M. R. Roussel, Phys. Rev. A 39, 3761 (1989).
10. A. D. Becke, J. Chem. Phys. 88, 1053 (1988).
11. A. D. Becke, Can. J. Chem. 74, 995 (1996).
12. A. D. Becke, Int. J. Quantum Chem. 23, 1915 (1983).
13. J. F. Dobson, J. Phys.: Condens. Matter 4, 7877 (1992)
14. J. F. Dobson, J. Chem. Phys. 98, 8870 (1993).
15. A. D. Becke, Phys. Rev. A 38, 3098 (1988).
16. C. A. Ullrich and W. Kohn, Phys. Rev. Lett. 87, 093001 (2001).