Excited states theory for optimized orbitals and valence optimized orbitals coupled-cluster doubles models

Journal of Chemical Physics

Volumn 113, Issue 16, 2000, Pages 6509-6527

  Krylov, Anna I ^a   Sherrill, C David ^b   Head Gordon, Martin ^c  

^a UNIVERSITY OF SOUTHERN CALIFORNIA   (United States)

^b GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

^c UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ATOMS; BERYLLIUM COMPOUNDS; ELECTRON ENERGY LEVELS; EQUATIONS OF MOTION; GREEN'S FUNCTION; HYDROCARBONS; MOLECULAR VIBRATIONS; OPTIMIZATION; QUANTUM THEORY; WATER;

EXCITED STATE; OPTIMIZED ORBITAL COUPLED CLUSTER DOUBLES; POTENTIAL ENERGY SURFACE; VALENCE OPTIMIZED ORBITAL COUPLED CLUSTER DOUBLES;

ELECTRONIC STRUCTURE;

EID: 0034296459     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1311292     Document Type: Article

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