Abstract
We have extended the RISM-polaron theory of excess solvated electrons to treat the effects of quantum mechanical charge density fluctuations in the solvent particles. Our numerical results examine a model in which the solvent is composed of hard spheres with internal Drude oscillators. By varying the fundamental Drude oscillator frequency, one may explore the role of solvent polarization as it depends upon the time scale of the dipolar motions. We describe general trends predicted by the theory for this model, and we discuss the sensitivity of our results to changes in the model characterizing the interactions between the electrons and the solvent molecules.
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