Variable Lieb-Oxford bound satisfaction in a generalized gradient exchange-correlation functional

Journal of Chemical Physics

Volumn 130, Issue 24, 2009, Pages

  Vela, A ^a   Medel, V ^a   Trickey, S B ^b  

^a DEPARTAMENTO DE FÍSICA   (Mexico)

^b University of Florida ^*  (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIZATION ENERGIES; EXCHANGE FUNCTIONAL; EXCHANGE-CORRELATION FUNCTIONAL; EXPANSION COEFFICIENTS; GENERALIZED GRADIENT APPROXIMATIONS; GENERALIZED GRADIENTS; LIMITING BEHAVIOR; MEAN ABSOLUTE DEVIATIONS; PERDEW-BURKE-ERNZERHOF; SMALL MOLECULES; TEST SETS; UNIFORM ELECTRON GAS;

BOND LENGTH; ELECTRON GAS;

STATISTICAL TESTS;

EID: 67650544672     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3152713     Document Type: Article

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