Comparing ab initio density-functional and wave function theories: The impact of correlation on the electronic density and the role of the correlation potential

Journal of Chemical Physics

Volumn 135, Issue 11, 2011, Pages

  Grabowski, Ireneusz ^a   Teale, Andrew M ^b   Śmiga, Szymon ^a   Bartlett, Rodney J ^c  

^a NICOLAUS COPERNICUS UNIVERSITY   (Poland)

^b UNIVERSITY OF OSLO   (Norway)

^c University of Florida ^*  (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CLUSTER ANALYSIS; NUMERICAL METHODS; PERTURBATION TECHNIQUES; QUANTUM CHEMISTRY; WAVE FUNCTIONS;

AB INITIO DENSITY FUNCTIONAL THEORIES (DFT); AB INITIO DENSITY FUNCTIONALS; COUPLED-CLUSTER THEORY; DYNAMICAL CORRELATIONS; EXCHANGE AND CORRELATION; MANY BODY PERTURBATION THEORY; OPTIMIZED EFFECTIVE POTENTIAL METHOD; WAVE-FUNCTION BASED METHODS;

DENSITY FUNCTIONAL THEORY;

EID: 80053213999     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3636114     Document Type: Article

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