Fast evaluation of the Coulomb potential for electron densities using multipole accelerated resolution of identity approximation

Journal of Chemical Physics

Volumn 118, Issue 20, 2003, Pages 9136-9148

  Sierka, Marek ^a   Hogekamp, Annika ^a,b   Ahlrichs, Reinhart ^a  

^a UNIVERSITY OF KARLSRUHE   (Germany)

^b UNIVERSITY OF REGENSBURG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; APPROXIMATION THEORY; ATOMS; COMPUTATIONAL COMPLEXITY; COMPUTATIONAL METHODS; COMPUTER SIMULATION; COMPUTER SOFTWARE; COMPUTER WORKSTATIONS; INTEGRAL EQUATIONS; MATRIX ALGEBRA; MOLECULES; SET THEORY;

COULOMB POTENTIAL; DENSITY FUNCTIONAL METHOD; FAST MULTIPOLE METHOD; SOFTWARE TURBOMOLE;

CARRIER CONCENTRATION;

EID: 0038617492     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1567253     Document Type: Article

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