The Rys quadrature revisited: A novel formulation for the efficient computation of electron repulsion integrals over Gaussian functions

Journal of Chemical Physics

Volumn 114, Issue 5, 2001, Pages 2067-2078

  Dupuis, Michel ^a   Marquez, Antonio ^b  

^a PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^b UNIVERSITY OF SEVILLE   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; ELECTRONS; FUNCTIONS; POLYNOMIALS;

DENSITY FUNCTIONAL THEORY (DFT); ELECTRON REPULSION INTEGRALS; GAUSSIAN BASIS FUNCTIONS; RYS QUADRATURE METHOD;

QUANTUM THEORY;

EID: 0034824060     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1336541     Document Type: Article

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