Extended treatment of charge response kernel comprising the density functional theory and charge regulation procedures

Journal of Chemical Physics

Volumn 125, Issue 7, 2006, Pages

  Ishida, Tateki ^a   Morita, Akihiro ^a  

^a INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ALCOHOLS; ELECTROSTATICS; MATHEMATICAL MODELS; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION;

CHARGE RESPONSE KERNEL (CRK); KOHN-SHAM EQUATIONS; PARTIAL CHARGES; TETRAHYDROFURAN (THF);

CHEMICAL ENGINEERING;

EID: 33747615023     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2219746     Document Type: Article

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