Self-interaction-free exchange-correlation functional for thermochemistry and kinetics

Journal of Chemical Physics

Volumn 124, Issue 9, 2006, Pages

  Mori Sánchez, Paula ^a   Cohen, Aron J ^a   Yang, Weitao ^a  

^a DUKE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADIABATIC CONNECTION; GENERALIZED GRADIENT APPROXIMATION (GGA); MEAN ABSOLUTE ERROR;

APPROXIMATION THEORY; CORRELATION METHODS; ELECTRONS; INTERPOLATION;

REACTION KINETICS;

ARTICLE; CHEMICAL MODEL; KINETICS; TEMPERATURE; THEORETICAL MODEL; THERMODYNAMICS;

KINETICS; MODELS, CHEMICAL; MODELS, THEORETICAL; TEMPERATURE; THERMODYNAMICS;

EID: 34547853805     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2179072     Document Type: Article

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