Superior performance of Mukherjee's state-specific multi-reference coupled-cluster theory at the singles and doubles truncation scheme with localized active orbitals

Chemical Physics

Volumn 392, Issue 1, 2012, Pages 83-89

  Das, Sanghamitra ^a,b   Kállay, Mihály ^b   Mukherjee, Debashis ^c  

^a ST XAVIER S COLLEGE   (India)

^b BUDAPEST UNIVERSITY OF TECHNOLOGY AND ECONOMICS   (Hungary)

^c DEPARTMENT OF MATERIALS SCIENCE   (India)

Author keywords

Coupled cluster; Localized orbitals; Multi reference; State specific

Indexed keywords

EID: 84855665199     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2011.10.017     Document Type: Article

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