Linear-scaling divide-and-conquer second-order Møller-Plesset perturbation calculation for open-shell systems: Implementation and application

Theoretical Chemistry Accounts

Volumn 130, Issue 2-3, 2011, Pages 411-417

  Yoshikawa, Takeshi ^a   Kobayashi, Masato ^a,b   Nakai, Hiromi ^a,c  

^a WASEDA UNIVERSITY   (Japan)

^b INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

^c JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

Electron correlation; Linear scaling computation; MP2 theory; Open shell system; Unrestricted orbital

Indexed keywords

EID: 81555209699     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-011-1008-7     Document Type: Article

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