Full configuration interaction potential energy curves for breaking bonds to hydrogen: An assessment of single-reference correlation methods

Journal of Chemical Physics

Volumn 118, Issue 4, 2003, Pages 1610-1619

  Dutta, Antara ^a   Sherrill, C David ^a  

^a GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; CORRELATION METHODS; ELECTRONIC STRUCTURE; ERRORS; METHANE; PERTURBATION TECHNIQUES; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; SURFACES;

BREAKING BONDS; HYBRID DENSITY FUNCTIONAL METHOD; OPTIMIZED ORBITAL COUPLED CLUSTER METHODS; SINGLE REFERENCE CORRELATION METHODS;

HYDROGEN BONDS;

EID: 0037460264     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1531658     Document Type: Article

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