An application of second-order n-electron valence state perturbation theory to the calculation of excited states

Theoretical Chemistry Accounts

Volumn 111, Issue 2-6, 2004, Pages 352-357

  Angeli, Celestino ^a   Borini, Stefano ^a   Cimiraglia, Renzo ^a  

^a UNIVERSITY OF FERRARA   (Italy)

Author keywords

Excited states; Multireference configuration interaction; n electron valence state perturbation theory; Perturbation configuration interaction

Indexed keywords

ACETONE; FORMALDEHYDE;

ARTICLE; CALCULATION; ELECTRON; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MODEL; MOLECULAR PHYSICS; THEORETICAL STUDY;

EID: 2442488595     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-003-0549-9     Document Type: Article

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