Orbital nonrelaxed coupled cluster singles and doubles with perturbative triples corrections calculations of first-order one-electron properties

Journal of Chemical Physics

Volumn 117, Issue 22, 2002, Pages 9983-9990

  Hald, Kasper ^a   Halkier, Asger ^a   Jørgensen, Poul ^a   Coriani, Sonia ^b  

^a AARHUS UNIVERSITY   (Denmark)

^b UNIVERSITY OF TRIESTE   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

BENZENE; CALCULATIONS; ELECTRONIC STRUCTURE; HAMILTONIANS;

FULL CONFIGURATION INTERACTION; HARTREE-FOCK MOLECULAR ORBITALS; MOLECULAR PROPERTIES; QUADRUPLE MOMENT;

ELECTRONS;

EID: 0037045149     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1517991     Document Type: Article

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