Efficient Parallel Algorithm of Second- Order Møller-Plesset Perturbation Theory with Resolution-of-Identity Approximation (RI-MP2)

International Journal of Quantum Chemistry

Volumn 109, Issue 10, 2009, Pages 2121-2130

  Katouda, Michio ^a   Nagase, Shigeru ^a  

^a INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

Author keywords

Density fitting approximation; Parallel algorithm; Resolution of identity approximation; RI MP2

Indexed keywords

BENCHMARK CALCULATIONS; DENSITY FITTING APPROXIMATION; DISTRIBUTED MEMORY PROCESSORS; ENERGY CALCULATION; IDENTITY APPROXIMATION; PARALLEL EFFICIENCY; PLESSET PERTURBATION THEORY; REPULSION INTEGRALS; RESOLUTION-OF-IDENTITY APPROXIMATION; RI-MP2; SECOND ORDERS; TWO LAYERS;

APPROXIMATION ALGORITHMS; PARALLEL ARCHITECTURES; PARALLEL PROCESSING SYSTEMS; PERTURBATION TECHNIQUES;

PARALLEL ALGORITHMS;

EID: 67649804868     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22068     Document Type: Article

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