Neglect of four- And approximation of one-, two-, and three-center two-electron integrals in a symmetrically orthogonalized basis

Journal of Computational Chemistry

Volumn 28, Issue 3, 2007, Pages 698-702

  Laikov, Dimitri N ^a  

^a ALBANOVA UNIVERSITY CENTER   (Sweden)

Author keywords

Differential overlap; Integral approximation; Semiemperical methods; Symmetric orthogonalization

Indexed keywords

APPROXIMATION ALGORITHMS; FUNCTION EVALUATION; INTEGRAL EQUATIONS; MATHEMATICAL MODELS; NUMERICAL METHODS;

DIFFERENTIAL OVERLAPS; INTEGRAL APPROXIMATION; SEMIEMPERICAL METHODS; SYMMETRIC ORTHOGONALIZATION;

ELECTRONIC STRUCTURE;

ALGORITHM; CHEMICAL STRUCTURE; ELECTRON; THEORETICAL MODEL;

ALGORITHMS; ELECTRONS; MODELS, MOLECULAR; MODELS, THEORETICAL; MOLECULAR STRUCTURE;

EID: 33847624060     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20485     Document Type: Article

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