Fragment molecular orbital method with density functional theory and DIIS convergence acceleration

Chemical Physics Letters

Volumn 382, Issue 5-6, 2003, Pages 611-617

  Sugiki, Sin Ichirou ^a,b   Kurita, Noriyuki ^a   Sengoku, Yasuo ^a   Sekino, Hideo ^a  

^a TOYOHASHI UNIVERSITY OF TECHNOLOGY   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE; CALCULATION; DENSITY; ELECTRON TRANSPORT; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR PHYSICS; VALIDATION PROCESS;

EID: 0344946320     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2003.10.087     Document Type: Article

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