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Journal of Computational Chemistry

Volumn 23, Issue 12, 2002, Pages 1150-1156

An efficient parallel algorithm for the calculation of canonical MP2 energies

(2) Baker, Jon a Pulay, Peter b

a Parallel Quantum Solutions (United States)

b UNIVERSITY OF ARKANSAS (United States)

Author keywords

Canonical MP2 energies; Parallel algorithm; Saebo Alml f integral transformation

Indexed keywords

CALCULATIONS; COMPUTER SIMULATION; ELECTRONIC STRUCTURE; FUNCTIONS; INTEGRAL EQUATIONS; MATHEMATICAL TRANSFORMATIONS; MOLECULES; PARALLEL ALGORITHMS; PARALLEL PROCESSING SYSTEMS; PERTURBATION TECHNIQUES; QUANTUM THEORY;

ATOMIC INTEGRALS; BASIS FUNCTIONS; CANONICAL SECOND ORDER MOLLER-PLESSET PERTURBATION THEORY ENERGIES; SAEBO-ALMLOF DIRECT INTEGRAL TRANSFORMATION;

ELECTRON ENERGY LEVELS;

EID: 0036722923 PISSN: 01928651 EISSN: None Source Type: Journal
DOI: 10.1002/jcc.10071 Document Type: Article

Times cited : (40)

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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.