Full configuration interaction potential energy curves for the X 1∑ g +,B 1Δ g, and B′ 1∑ g + states of C 2: A challenge for approximate methods

Journal of Chemical Physics

Volumn 121, Issue 19, 2004, Pages 9211-9219

  Abrams, Micah L ^a   Sherrill, C David ^a  

^a GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BOND-BREAKING REACTIONS; ELECTRONIC CONFIGURATIONS; FULL CONFIGURATION INTERACTION (FCI); POTENTIAL ENERGY CURVES (PES);

CHEMICAL BONDS; EIGENVALUES AND EIGENFUNCTIONS; ERROR ANALYSIS; GROUND STATE; MATHEMATICAL MODELS; PERTURBATION TECHNIQUES; POTENTIAL ENERGY;

REACTION KINETICS;

CARBON; WATER;

ALGORITHM; ARTICLE; BIOPHYSICS; CHEMISTRY; ELECTRON; METHODOLOGY; PHYSICAL CHEMISTRY; STATISTICAL MODEL; THEORETICAL MODEL;

ALGORITHMS; BIOPHYSICS; CARBON; CHEMISTRY, PHYSICAL; ELECTRONS; MODELS, STATISTICAL; MODELS, THEORETICAL; WATER;

EID: 10844257307     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1804498     Document Type: Article

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