Large scale FMO-MP2 calculations on a massively parallel-vector computer

Chemical Physics Letters

Volumn 457, Issue 4-6, 2008, Pages 396-403

  Mochizuki, Yuji ^a,b,c   Yamashita, Katsumi ^d   Murase, Tadashi ^d   Nakano, Tatsuya ^b,c,e   Fukuzawa, Kaori ^f   Takematsu, Kazutomo ^g   Watanabe, Hirofumi ^b,g   Tanaka, Shigenori ^b,g  

^a RIKKYO UNIVERSITY   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

^c INSTITUTE OF INDUSTRIAL SCIENCE   (Japan)

^d NEC CORPORATION   (Japan)

^e NATIONAL INSTITUTE OF HEALTH SCIENCES   (Japan)

^f MIZUHO INFORMATION AND RESEARCH INSTITUTE   (Japan)

^g KOBE UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

BIOCHEMISTRY; CORRELATION METHODS; MOLECULAR ORBITALS; PERTURBATION TECHNIQUES; PROBLEM SOLVING;

BIOCHEMICAL PROBLEMS; FRAGMENT MOLECULAR ORBITAL (FMO) CALCULATIONS;

PARALLEL PROCESSING SYSTEMS;

EID: 43549092007     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2008.03.090     Document Type: Article

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