Effect of discontinuities in Kohn-Sham-based chemical reactivity theory

Journal of Chemical Physics

Volumn 136, Issue 11, 2012, Pages

  Hellgren, Maria ^a   Gross, E K U ^a  

^a MAX PLANCK INSTITUTE OF MICROSTRUCTURE PHYSICS   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONALS; EXCHANGE-CORRELATIONS; FUKUI FUNCTIONS; MODEL MOLECULAR SYSTEMS; NUCLEOPHILIC REAGENT; ORBITAL RELAXATION; REFERENCE SYSTEMS;

PHYSICAL CHEMISTRY; PHYSICS;

DENSITY FUNCTIONAL THEORY;

EID: 84859261073     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3694103     Document Type: Article

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