Density cumulant functional theory: First implementation and benchmark results for the DCFT-06 model

Journal of Chemical Physics

Volumn 133, Issue 17, 2010, Pages

  Simmonett, Andrew C ^a   Wilke, Jeremiah J ^a   Schaefer III, Henry F ^a   Kutzelnigg, Werner ^b  

^a UNIVERSITY OF GEORGIA   (United States)

^b RUHR UNIVERSITY BOCHUM   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BONDED INTERACTIONS; COUPLED CLUSTER THEORY WITH SINGLE AND DOUBLE EXCITATIONS; COVALENTLY BOUND; CUMULANTS; DIATOMIC MOLECULES; ENERGY FUNCTIONALS; EQUILIBRIUM GEOMETRIES; FUNCTIONAL THEORY; HERMITIANS; NON-LINEARITY;

DENSITY FUNCTIONAL THEORY;

EID: 78650630308     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3503657     Document Type: Article

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