A one-electron model for the aqueous electron that includes many-body electron-water polarization: Bulk equilibrium structure, vertical electron binding energy, and optical absorption spectrum

Journal of Chemical Physics

Volumn 133, Issue 15, 2010, Pages

  Jacobson, Leif D ^a   Herbert, John M ^a  

^a OHIO STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AB INITIO BENCHMARK; ABSORPTION MAXIMA; BULK WATER; DENSITY MAXIMA; DIFFUSION COEFFICIENTS; ELECTRON DETACHMENTS; ELECTRON MODELS; ELECTRONIC ABSORPTION; ELECTRONIC EXCITATION; EQUILIBRIUM STRUCTURES; EXCESS ELECTRONS; EXCHANGE-CORRELATION POTENTIAL; HIGH ENERGY TAILS; HYDRATED ELECTRON; MANY-BODY; NEW MODEL; OPTICAL ABSORPTION SPECTRUM; PARAMETRIZATIONS; POLARIZABLE WATER MODELS; PSEUDOPOTENTIALS; RADIUS OF GYRATION; REASONABLE VALUE; REORGANIZATION ENERGIES; REPARAMETRIZATION; REPULSIVE POTENTIALS; SOLVATION SHELL; SOLVENT POLARIZATION; STATIC-EXCHANGE APPROXIMATION; VERTICAL ELECTRONS; WATER POLARIZATION;

ABSORPTION SPECTROSCOPY; BINDING ENERGY; ELECTRIC EXCITATION; HYDRATES; HYDRATION; LIGHT ABSORPTION; NUCLEAR ENERGY; POLARIZATION; POTENTIAL ENERGY; WATER ABSORPTION;

ELECTRONS;

EID: 78049312326     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3490479     Document Type: Article

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