A composite density fitting + numerical integration approximation for electron-repulsion integrals

Molecular Physics

Volumn 111, Issue 9-11, 2013, Pages 1129-1142

  Yachmenev, Andrey ^a   Klopper, Wim ^a  

^a KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

Author keywords

density fitting; electron correlation; electron repulsion integrals; Hartree Fock theory; numerical integration

Indexed keywords

AUXILIARY FUNCTIONS; COMPUTATIONAL EFFORT; DENSITY FITTING; ELECTRON-REPULSION INTEGRALS; HARTREE-FOCK THEORY; NUMERICAL INTEGRATIONS; QUANTUM CHEMICAL; STORAGE REQUIREMENTS;

ELECTRON CORRELATIONS; QUANTUM CHEMISTRY;

EIGENVALUES AND EIGENFUNCTIONS; ELECTRON CORRELATIONS;

EID: 84882448290     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2013.800265     Document Type: Article

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