Localized basis orbitals: Minimization of 2-electron integrals array and orthonormality of basis set

Journal of Computational Chemistry

Volumn 24, Issue 9, 2003, Pages 1132-1141

  Anikin, N A ^a   Bugaenko, V L ^b   Frash, M V ^a   Gorb, L ^c   Leszczynski, J ^c  

^a N D ZELINSKY INSTITUTE OF ORGANIC CHEMISTRY   (Russian Federation)

^b INSTITUTE FOR THEORETICAL AND EXPERIMENTAL PHYSICS   (Russian Federation)

^c JACKSON STATE UNIVERSITY   (United States)

Author keywords

Electron repulsion integrals; Localization; Orthogonality

Indexed keywords

APPROXIMATION THEORY; CORRELATION METHODS; ELECTRON ENERGY LEVELS; ELECTRONS; MATHEMATICAL TRANSFORMATIONS; MATRIX ALGEBRA;

ELECTRON REPULSION INTEGRALS (ERI);

QUANTUM THEORY;

EID: 0037495939     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10218     Document Type: Article

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