Chemical hardness and the discontinuity of the Kohn-Sham exchange-correlation potential

Journal of Chemical Physics

Volumn 126, Issue 21, 2007, Pages

  Gázquez, Joś L ^a   Garza, Jorge ^a   Hinojosa, Fernando D ^b   Vela, Alberto ^b  

^a DEPARTAMENTO DE QUÍMICA   (Mexico)

^b DEPARTAMENTO DE FÍSICA   (Mexico)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CORRELATION METHODS; EIGENVALUES AND EIGENFUNCTIONS; ELECTRON AFFINITY; FUNCTIONAL ANALYSIS; IONIZATION; OPTIMIZATION;

CHEMICAL HARDNESS; GENERALIZED GRADIENT APPROXIMATION; KOHN-SHAM EXCHANGE-CORRELATION POTENTIAL;

QUANTUM CHEMISTRY;

EID: 34249995480     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2741529     Document Type: Article

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