A discrete solvent reaction field model within density functional theory

Journal of Chemical Physics

Volumn 118, Issue 2, 2003, Pages 514-521

  Jensen, Lasse ^a   Van Duijnen, Piet Th ^a   Snijders, Jaap G ^a  

^a UNIVERSITY OF GRONINGEN   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

DIELECTRIC PROPERTIES OF SOLIDS; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; POLARIZATION; PROBABILITY DENSITY FUNCTION; SOLUTIONS; SOLVENTS;

GAS PHASE DIPOLE MOMENT; KOHN-SHAM EQUATIONS; LOCAL DENSITY APPROXIMATION; MOLECULAR POLARIZABILITY; QUADRUPOLE MOMENTS;

QUANTUM THEORY;

EID: 0037425680     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1527010     Document Type: Article

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