A parallelized integral-direct second-order Møller-Plesset perturbation theory method with a fragment molecular orbital scheme

Theoretical Chemistry Accounts

Volumn 112, Issue 5-6, 2004, Pages 442-452

  Mochizuki, Yuji ^a   Nakano, Tatsuya ^b   Koikegami, Shigeru ^a   Tanimori, Souichirou ^a   Abe, Yukinobu ^a   Nagashima, Umpei ^c   Kitaura, Kazuo ^c  

^a UNIVERSITY OF TOKYO   (Japan)

^b NATIONAL INSTITUTE OF HEALTH SCIENCES   (Japan)

^c NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

Author keywords

Density matrix; Fragment molecular orbital; Integral transformation; Parallelism; Plesset perturbation theory; Second order M ller

Indexed keywords

ACCURACY; ALGORITHM; ARTICLE; CORRELATION ANALYSIS; MATHEMATICAL COMPUTING; MATHEMATICS;

EID: 11944271156     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-004-0602-3     Document Type: Article

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