Monte Carlo configuration interaction predictions for the electronic spectra of Ne, CH2, C2, N2, and H2 O compared to full configuration interaction calculations

Journal of Chemical Physics

Volumn 129, Issue 6, 2008, Pages

  Gyorffy W ^a,c   Bartlett, R J ^b   Greer, J C ^c  

^a AARHUS UNIVERSITY   (Denmark)

^b UNIVERSITY OF FLORIDA   (United States)

^c UNIVERSITY COLLEGE CORK   (Ireland)

Author keywords

[No Author keywords available]

Indexed keywords

CHLORINE COMPOUNDS; EQUATIONS OF MOTION; EXCITATION ENERGY; FLOW INTERACTIONS; FORECASTING; MONTE CARLO METHODS; NEON;

CONFIGURATION INTERACTION; CONFIGURATION INTERACTION METHOD; CONFIGURATION STATE FUNCTIONS; COUPLED-CLUSTER METHOD; ELECTRONIC EXCITATION ENERGIES; ELECTRONIC EXCITATIONS; ELECTRONIC SPECTRUM; FULL CI; FULL CONFIGURATION INTERACTION; MOLECULAR SYSTEMS; MONTE CARLO;

ELECTRIC EXCITATION;

EID: 49749125266     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2965529     Document Type: Article

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