Comparison of the performance of exact-exchange-based density functional methods

Journal of Chemical Physics

Volumn 137, Issue 11, 2012, Pages

  Liu, Fenglai ^a,b   Proynov, Emil ^c   Yu, Jian Guo ^a   Furlani, Thomas R ^b   Kong, Jing ^b,c  

^a BEIJING NORMAL UNIVERSITY   (China)

^b UNIVERSITY AT BUFFALO   (United States)

^c Q Chem Inc   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; CORRELATION EFFECT; DENSITY FUNCTIONAL THEORIES (DFT); DENSITY-FUNCTIONAL METHODS; DFT METHOD; DISSOCIATION CURVES; DISSOCIATION ENERGIES; DISSOCIATION PROCESS; EXACT EXCHANGE; FUNCTIONALS; HYDROGEN ABSTRACTION REACTION; NO DIMER; REACTION BARRIERS;

DISSOCIATION; HYDROGEN; THERMOCHEMISTRY;

DENSITY FUNCTIONAL THEORY;

FLUORIDE; HELIUM; HYDROGEN; NITRIC OXIDE; NITROGEN;

ARTICLE; CHEMISTRY; COMPARATIVE STUDY; DIMERIZATION; QUANTUM THEORY;

DIMERIZATION; FLUORIDES; HELIUM; HYDROGEN; NITRIC OXIDE; NITROGEN; QUANTUM THEORY;

EID: 84866890476     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4752396     Document Type: Article

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