Resonating coupled-cluster CI approach to ion-radical systems: Comparison with the unrestricted coupled-cluster approach

International Journal of Quantum Chemistry

Volumn 109, Issue 15, 2009, Pages 3811-3818

  Yamanaka, S ^a   Nishihara, S ^a   Nakata, K ^b   Yonezawa, Y ^a   Okumura, M ^a   Takada, T ^c   Nakamura, H ^a   Yamaguchi, K ^d  

^a OSAKA UNIVERSITY   (Japan)

^b NEC CORPORATION   (Japan)

^c RIKEN   (Japan)

^d TOYOTA PHYSICAL AND CHEMICAL RESEARCH INSTITUTE   (Japan)

Author keywords

Coupled cluster methods; Ion radical; Resonating configuration interaction

Indexed keywords

AB INITIO METHOD; COMPUTATIONAL RESULTS; CONFIGURATION INTERACTIONS; COUPLED CLUSTERS; COUPLED-CLUSTER APPROACH; COUPLED-CLUSTER METHODS; EXCESS ELECTRONS; ION RADICALS; RADICAL SYSTEMS; UNRESTRICTED HARTREE-FOCK;

BIOLOGY; SPIN DYNAMICS;

IONS;

EID: 73049107930     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22441     Document Type: Conference Paper

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