Accuracy of density fitting in calculation of two-electron repulsion integrals in periodic systems

International Journal of Quantum Chemistry

Volumn 107, Issue 11, 2007, Pages 2158-2168

  Milko, Matúš ^a   Noga, Jozef ^a,b   Varga, Štefan ^a  

^a INSTITUTE OF CHEMISTRY   (Slovakia)

^b Faculty of Natural Sciences   (Slovakia)

Author keywords

Auxiliary basis sets; Density fitting; Translational periodicity

Indexed keywords

COMPUTATION THEORY; CONVERGENCE OF NUMERICAL METHODS; ELECTRONS; PARAMETER ESTIMATION; POLYACETYLENES; TOPOLOGY;

AUXILIARY BASIS SETS; DENSITY FITTING; TRANSLATIONAL PERIODICITY;

QUANTUM CHEMISTRY;

EID: 34547565107     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21401     Document Type: Conference Paper

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