Optimized virtual orbitals for correlated calculations: Towards large scale CCSD(T) calculations of molecular dipole moments and polarizabilities

Journal of Molecular Structure: THEOCHEM

Volumn 768, Issue 1-3, 2006, Pages 79-89

  Pitoňák, Michal ^a   Holka, Filip ^a   Neogrády, Pavel ^a   Urban, Miroslav ^a  

^a Physics and Informatics   (Slovakia)

Author keywords

1 Amino 4 nitrobutadiene; CO; Coupled cluster CCSD(T) method; Dipole moment; Fluorine anion; Formaldehyde; OVOS; Polarizability; Push pull; Thiophene

Indexed keywords

EID: 33748526173     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2006.05.018     Document Type: Article

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