Improved constraint satisfaction in a simple generalized gradient approximation exchange functional

Journal of Chemical Physics

Volumn 136, Issue 14, 2012, Pages

  Vela, Alberto ^a   Pacheco Kato, Juan C ^b   Gázquez, José L ^c   Del Campo, Jorge M ^c,d   Trickey, S B ^e  

^a DEPARTAMENTO DE FÍSICA   (Mexico)

^b UNIVERSITY OF GUANAJUATO   (Mexico)

^c DEPARTAMENTO DE QUÍMICA   (Mexico)

^d University of Florida ^*  (United States)

^e Universidad Nacional Autonoma de Mexico Facultad de Quimica   (Mexico)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL RESULTS; CONSTRAINT SATISFACTION; CORRELATION FUNCTIONALS; DATA SETS; ENHANCEMENT FACTOR; EXCHANGE ENHANCEMENT; EXCHANGE FUNCTIONAL; EXCHANGE-CORRELATION FUNCTIONALS; GENERALIZED GRADIENT APPROXIMATIONS; PERDEW-BURKE-ERNZERHOF; PERFORMANCE GAIN; TEST SETS; UNIFORM ELECTRON GAS;

ELECTRON GAS;

STRONTIUM COMPOUNDS;

EID: 84859965806     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3701132     Document Type: Article

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