A real-space model of nondynamical correlation

Journal of Chemical Physics

Volumn 119, Issue 6, 2003, Pages 2972-2977

  Becke, Axel D ^a  

^a QUEEN S UNIVERSITY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ATOMS; CALCULATIONS; CARRIER CONCENTRATION; DISSOCIATION; ELECTRON ENERGY LEVELS; HELIUM; HYDROGEN; MATHEMATICAL MODELS; NUMERICAL ANALYSIS; POSITIVE IONS; PROBABILITY DENSITY FUNCTION;

GENERALIZED GRADIENT APPROXIMATION; HARTREE-FOCK THEORY; KOHN-SHAM DENSITY FUNCTIONAL THEORY; LOCAL EXCHANGE-CORRELATION APPROXIMATION; NONDYNAMICAL CORRELATION;

MOLECULAR PHYSICS;

EID: 0041378230     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1589733     Document Type: Article

References (14)

1. A.D. Becke, J. Chem. Phys. 88, 1053 (1988).
2. A.D. Becke, J. Chem. Phys. 107, 8554, (1997)
3. A.D. Becke, J. Chem. Phys. 109, 2092 (1998)
4. A.D. Becke, J. Comput. Chem. 20, 63 (1999).
5. L.A. Curtiss, K. Raghayachari, G.W. Trucks, and J.A. Pople, J. Chem. Phys. 94, 722 (1991)
6. L.A. Curtiss, K. Raghavachari, P.C. Redfern, and J.A. Pople ibid. 106, 1063 (1997).
7. Y. Zhang and W. Yang, J. Chem. Phys. 109, 2604 (1998).
8. A.D. Becke and M.R. Roussel, Phys. Rev. A 39, 3761 (1989).
9. A.D. Becke, Can. J. Chem. 74, 995 (1996)
10. A.D. Becke, J. Chem. Phys. 117. 6935 (2002).
11. A. D. Becke, Int. J. Quantum Chem., Quantum Chem. Symp. 23, 599 (1989).
12. A. D. Becke and R.M. Dickson, J. Chem. Phys. 89, 2993 (1988).
13. A. D. Becke, Int. J. Quantum Chem., Quantum Chem. Symp. 28, 625 (1994).
14. A. D. Becke, J. Chem. Phys. 97, 9173 (1992).