Efficient and rapid numerical evaluation of the two-electron, four-center Coulomb integrals using nonlinear transformations and useful properties of sine and Bessel functions

Journal of Computational Physics

Volumn 176, Issue 1, 2002, Pages 1-19

  Safouhi, Hassan ^a  

^a UNIVERSITÉ DU QUÉBEC À MONTRÉAL   (Canada)

Author keywords

Bessel functions; Convergence accelerators; Molecular multicenter integrals; Nonlinear transformations; Oscillatory integrals; Semi infinite integrals

Indexed keywords

DENSITY FUNCTIONAL THEORY; FUNCTION EVALUATION;

AB INITIO; BESSEL'S FUNCTION; CONVERGENCE ACCELERATORS; DENSITY-FUNCTIONAL-THEORY; MOLECULAR MULTICENTER INTEGRAL; NON-LINEAR TRANSFORMATIONS; OSCILLATORY INTEGRAL; SEMI-INFINITE INTEGRAL; SINE FUNCTIONS; USEFUL PROPERTIES;

BESSEL FUNCTIONS;

EID: 0037050816     PISSN: 00219991     EISSN: None     Source Type: Journal    
DOI: 10.1006/jcph.2001.6925     Document Type: Article

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