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• W2324206582 endingPage "1890" @default.
• W2324206582 startingPage "1884" @default.
• W2324206582 abstract "A first-principles solvated electronic dynamics method is introduced. Solvent electronic degrees of freedom are coupled to the time-dependent electronic density of a solute molecule by means of the implicit reaction field method, and the entire electronic system is propagated in time. This real-time time-dependent approach, incorporating the polarizable continuum solvation model, is shown to be very effective in describing the dynamical solvation effect in the charge transfer process and yields a consistent absorption spectrum in comparison to the conventional linear response results in solution." @default.
• W2324206582 created "2016-06-24" @default.
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• W2324206582 date "2012-02-21" @default.
• W2324206582 modified "2023-10-16" @default.
• W2324206582 title "Modeling Ultrafast Solvated Electronic Dynamics Using Time-Dependent Density Functional Theory and Polarizable Continuum Model" @default.
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• W2324206582 doi "https://doi.org/10.1021/jp2123899" @default.
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