The Fourier transform Coulomb method: Efficient and accurate calculation of the Coulomb operator in a Gaussian basis

Journal of Chemical Physics

Volumn 117, Issue 17, 2002, Pages 7827-7835

  Füsti Molnár, László ^a   Pulay, Peter ^a  

^a UNIVERSITY OF ARKANSAS   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; DENSITY (SPECIFIC GRAVITY); ELECTRON ENERGY LEVELS; FOURIER TRANSFORMS; MATHEMATICAL OPERATORS; MATRIX ALGEBRA; MOLECULAR DYNAMICS; NUMERICAL METHODS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

ASYMPTOTIC SCALING; MOLECULAR SIZE;

MOLECULAR PHYSICS;

EID: 0036848805     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1510121     Document Type: Article

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