Improved self-consistent and resolution-of-identity approximated Becke05 density functional model of nondynamic electron correlation

Journal of Chemical Physics

Volumn 136, Issue 3, 2012, Pages

  Proynov, Emil ^a   Liu, Fenglai ^b,c   Shao, Yihan ^a   Kong, Jing ^a  

^a Q Chem Inc   (United States)

^b BEIJING NORMAL UNIVERSITY   (China)

^c Center for Computational Research   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIZATION ENERGIES; DENSITY-FUNCTIONAL MODELS; LINEAR PARAMETERS; NO DIMER; REACTION BARRIERS; SELF-CONSISTENCY; SELF-CONSISTENT FIELD; SINGLET-TRIPLET SPLITTING;

ALGORITHMS; BINDING ENERGY; COMPUTATIONAL EFFICIENCY; ELECTRON CORRELATIONS; OPTIMIZATION;

DENSITY FUNCTIONAL THEORY;

ALGORITHM; ARTICLE; ELECTRON; QUANTUM THEORY;

ALGORITHMS; ELECTRONS; QUANTUM THEORY;

EID: 84856480591     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3676726     Document Type: Article

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