Fundamental importance of the Coulomb hole sum rule to the understanding of the Colle-Salvetti wave function functional

Journal of Chemical Physics

Volumn 125, Issue 3, 2006, Pages

  Pan, Xiao Yin ^a   Sahni, Viraht ^a   Massa, Lou ^a  

^a CITY UNIVERSITY OF NEW YORK   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COULOMB HOLES; ELECTRON REPULSION; SINGLE PARTICLE DENSITY MATRIX; WAVE FUNCTIONS;

ATOMIC PHYSICS; CORRELATION METHODS; ELEMENTARY PARTICLES; FUNCTION EVALUATION; MATRIX ALGEBRA; PROBABILITY DENSITY FUNCTION; THEOREM PROVING;

WAVE EQUATIONS;

ARTICLE; QUANTUM THEORY; THEORETICAL MODEL;

MODELS, THEORETICAL; QUANTUM THEORY;

EID: 33746311996     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2217731     Document Type: Article

References (17)

1. R. Colle and O. Salvetti, Theor. Chim. Acta 37, 329 (1975).
2. C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988).
3. R. Singh, L. Massa, and V. Sahni, Phys. Rev. A 60, 4135 (1999).
4. S. Caratzoulas and P. J. Knowles, Mol. Phys. 98, 1811 (2000).
5. J. Tao, P. Gori-Giorgi, J. P. Perdew, and R. McWeeny, Phys. Rev. A 63, 032513 (2001).
6. X.-Y. Pan, V. Sahni, and L. Massa, Bull. Am. Phys. Soc. 51, 661 (2006).
7. R. Singh, V. Sahni, and L. Massa, (unpublished).
8. M. Slamet and V. Sahni, Phys. Rev. A 51, 2815 (1995).
9. V. Sahni, Quantal Density Functional Theory (Springer-Verlag, Berlin, 2004).
10. W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
11. A. Soirat, M. Flocco, and L. Massa, Int. J. Quantum Chem. 49, 291 (1994).
12. R. C. Morrison, Int. J. Quantum Chem. 46, 583 (1993).
13. S. M. Valone, Phys. Rev. B 44, 1509 (1991).
14. L. Cohen and C. Lee, Int. J. Quantum Chem., Quantum Chem. Symp. 19, 535 (1986).
15. X.-Y. Pan, V. Sahni, and L. Massa, Phys. Rev. Lett. 93, 130401 (2004).
16. X.-Y. Pan, V. Sahni, and L. Massa, Phys. Rev. A 72, 032505 (2005).
17. X.-Y. Pan, V. Sahni, and L. Massa, Philos. Mag. 86, 26731 (2006).