Correlation potentials and functionals in Hartree-Fock-Kohn-Sham theory

Journal of Chemical Physics

Volumn 107, Issue 5, 1997, Pages 1536-1543

  Chan, Garnet K L ^a   Tozer, David J ^a   Handy, Nicholas C ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; EIGENVALUES AND EIGENFUNCTIONS; ELECTRON ENERGY LEVELS; ELECTRONIC DENSITY OF STATES; FINITE ELEMENT METHOD; LAGRANGE MULTIPLIERS; MOLECULAR STRUCTURE; PROBABILITY DENSITY FUNCTION;

EXCHANGE CORRELATION FUNCTIONAL; FUNCTIONAL EXPANSION; HARTEE-FOCK-KOHN-SHAM THEORY;

MOLECULAR VIBRATIONS;

EID: 0031206836     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.474506     Document Type: Article

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