Ab initio DFT - The seamless connection between WFT and DFT

Molecular Physics

Volumn 108, Issue 21-23, 2010, Pages 3313-3322

  Grabowski, Ireneusz ^a   Lotrich, Victor ^b   Hirata, So ^b  

^a NICOLAUS COPERNICUS UNIVERSITY   (Poland)

^b University of Florida ^*  (United States)

Author keywords

ab initio DFT; density functional theory; electron correlation; optimized effective potential method

Indexed keywords

AB INITIO; BASIS-SET LIMITS; COUPLED-CLUSTER THEORY; DENSITY DEPENDENCE; DENSITY FUNCTIONALS; DENSITY-DEPENDENT; DFT THEORY; EXCHANGE-CORRELATION FUNCTIONALS; EXCHANGE-CORRELATION POTENTIAL; FUNCTIONALS; MANY BODY PERTURBATION THEORY; NATURAL EXTENSION; OPTIMIZED EFFECTIVE POTENTIAL; OPTIMIZED EFFECTIVE POTENTIAL METHOD; THEORETICAL FRAMEWORK; WAVE FUNCTION THEORY;

CORRELATION METHODS; ELECTRON CORRELATIONS; ELECTRON DENSITY MEASUREMENT; OPTIMIZATION; PERTURBATION TECHNIQUES; QUANTUM THEORY;

DENSITY FUNCTIONAL THEORY;

EID: 78649559218     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2010.523441     Document Type: Conference Paper

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