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Published July 18, 1996 | public
Journal Article

Gaussian field model of dielectric solvation dynamics

Abstract

Extending the Gaussian model of solvation (Chandler, D. Phys. Rev. E 1993, 48, 2898) to dynamics, we focus specifically on the problem of dielectric relaxation. In the Gaussian model, the solvent is described in terms of a linear responding field that is expelled from the volume occupied by the solute. The excluded volume affects the normal modes of the system, thereby playing a significant role in solvation dynamics. Even in the context of dielectric continuum theory, the excluded volume affects the polarization response outside that volume. We show that this effect can be analyzed generally and analytically.

Additional Information

© 1996 American Chemical Society. Received: March 22, 1996; In Final Form: May 20, 1996. We thank Zhen-Gang Wang for helpful discussions. Financial support at Caltech has been provided by the National Science Foundation, the Office of Naval Research, and the JPL/Caltech Supercomputing Project. Financial support at Berkeley has been provided by the U.S. Department of Energy's Office of Basic Energy Sciences.

Additional details

Created:
August 19, 2023
Modified:
October 23, 2023