Improving the density functional theory description of water with self-consistent polarization

Journal of Chemical Physics

Volumn 132, Issue 16, 2010, Pages

  Murdachaew, Garold ^a   Mundy, Christopher J ^a   Schenter, Gregory K ^a  

^a PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DISPERSION CORRECTION; DISPERSION INTERACTION; ENTHALPY OF VAPORIZATION; FUNCTIONALS; HARMONIC FREQUENCY; HYDROGEN BONDED SYSTEMS; INTERACTION ENERGIES; LIQUID WATER; MODEL COMPLEXES; PARAMETRIZATIONS; POLARIZATION DENSITY; RADIAL DISTRIBUTION FUNCTIONS;

DISPERSIONS; DISTRIBUTION FUNCTIONS; POLARIZATION;

DENSITY FUNCTIONAL THEORY;

EID: 77952377160     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3385797     Document Type: Article

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