A general formulation for the efficient evaluation of n-electron integrals over products of Gaussian charge distributions with Gaussian geminal functions

Journal of Chemical Physics

Volumn 134, Issue 24, 2011, Pages

  Komornicki, Andrew ^a   King, Harry F ^b  

^a IBM   (United States)

^b UNIVERSITY AT BUFFALO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL IMPLEMENTATIONS; COMPUTATIONAL REQUIREMENTS; ELECTRON REPULSION INTEGRALS; EXPLICIT EXPRESSIONS; GAUSSIANS; GENERAL EXPRESSION; GENERAL METHOD; NUCLEAR ATTRACTION INTEGRALS; PARALLEL COMPUTER; PARTICLE EXPANSION; POLYNOMIAL METHODS; QUADRATIC FORM; RECURSION RELATIONS; RECURSIONS;

CHARGE DISTRIBUTION; ELECTRONS; GAUSSIAN DISTRIBUTION; NUMBER THEORY;

FUNCTION EVALUATION;

EID: 79960151443     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3600745     Document Type: Article

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68. See supplementary material at http://dx.doi.org/10.1063/1.3600745 E-JCPSA6-134-016124 for technical details on checking and debugging a computer implementation some sample three-electron integrals.