The roles of electronic exchange and correlation in charge-transfer-to- solvent dynamics: Many-electron nonadiabatic mixed quantum/classical simulations of photoexcited sodium anions in the condensed phase

Journal of Chemical Physics

Volumn 129, Issue 16, 2008, Pages

  Glover, William J ^a   Larsen, Ross E ^a   Schwartz, Benjamin J ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION; ABSORPTION SPECTROSCOPY; ATOMIC PHYSICS; ATOMS; CHARGE TRANSFER; DYNAMICS; ELECTRIC EXCITATION; ELECTRIC FIELDS; ELECTROMAGNETIC WAVE ABSORPTION; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ENERGY ABSORPTION; EQUATIONS OF MOTION; EXCITED STATES; ION EXCHANGE; IONS; LIGHT ABSORPTION; MASS TRANSFER; MECHANICS; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; NANOFLUIDICS; NEGATIVE IONS; PLASMA DIAGNOSTICS; QUANTUM CHEMISTRY; REACTION KINETICS; RELAXATION PROCESSES; SEMICONDUCTOR QUANTUM DOTS; SOLVATION; SOLVENTS; SPECTRUM ANALYSIS;

ATOMIC CORES; BLUESHIFTED; CONFIGURATION INTERACTIONS; DINGER EQUATIONS; DIRECT CONTACTS; DIRECT ROUTES; ELECTRON MODELS; ELECTRON SIMULATIONS; ELECTRON STRUCTURES; ELECTRON TRANSFERS; EXACT SOLUTIONS; EXCHANGE AND CORRELATIONS; IDEAL MODELS; INTERNAL DEGREES OF FREEDOMS; LIFE-TIMES; MOLECULAR DYNAMICS SIMULATIONS; MULTI ELECTRONS; NONADIABATIC; POLARIZABILITY; PSEUDO POTENTIALS; RELAXATION DYNAMICS; SODIUM ATOMS; SODIUM CATIONS; SOLVATED ELECTRONS; SOLVATION STRUCTURES; SOLVENT DYNAMICS; SOLVENT MOLECULES; STRUCTURE AND DYNAMICS; VALENCE ELECTRON DENSITIES; VALENCE ELECTRONS;

ELECTRONS;

EID: 55349128516     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2996350     Document Type: Article

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