Equation of motion for the solvent polarization apparent charges in the polarizable continuum model: Application to time-dependent CI
نویسندگان
چکیده
منابع مشابه
A time-dependent polarizable continuum model: theory and application.
This work presents an extention of the polarizable continuum model to explicitly describe the time-dependent response of the solvent to a change in the solute charge distribution. Starting from an initial situation in which solute and solvent are in equilibrium, we are interested in modeling the time-dependent evolution of the solvent response, and consequently of the solute-solvent interaction...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2017
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.4975620