Multireference composite approaches for the accurate study of ground and excited electronic states: C2, N2, and O2

Journal of Chemical Physics

Volumn 134, Issue 3, 2011, Pages

  Jiang, Wanyi ^a   Wilson, Angela K ^a  

^a UNIVERSITY OF NORTH TEXAS   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLETE ACTIVE SPACE; EQUILIBRIUM BOND LENGTH; EXCITED ELECTRONIC STATE; EXPERIMENTAL VALUES; HARMONIC FREQUENCY; MEAN ABSOLUTE DEVIATIONS; MULTI REFERENCE; MULTI REFERENCE CONFIGURATION INTERACTIONS; PERTURBATION THEORY; PERTURBATION THEORY METHODS; SECOND ORDER PERTURBATION THEORY; SECOND ORDERS; SPECTROSCOPIC CONSTANTS; TERM VALUE; VALENCE STATE;

BOND LENGTH;

PERTURBATION TECHNIQUES;

CARBON; NITROGEN; OXYGEN;

ARTICLE; CHEMISTRY; ELECTRON; QUANTUM THEORY;

CARBON; ELECTRONS; NITROGEN; OXYGEN; QUANTUM THEORY;

EID: 79551639669     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3514031     Document Type: Article

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