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Gaussian field model of dielectric solvation dynamics

Song, Xueyu and Chandler, David and Marcus, R. A. (1996) Gaussian field model of dielectric solvation dynamics. Journal of Physical Chemistry, 100 (29). pp. 11954-11959. ISSN 0022-3654 . http://resolver.caltech.edu/CaltechAUTHORS:20150513-153506257

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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.


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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.
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Record Number:CaltechAUTHORS:20150513-153506257
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:20150513-153506257
Official Citation:Gaussian Field Model of Dielectric Solvation Dynamics Xueyu Song, David Chandler, and R. A. Marcus The Journal of Physical Chemistry 1996 100 (29), 11954-11959 DOI: 10.1021/jp960887e
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:57513
Collection:CaltechAUTHORS
Deposited By: Tony Diaz
Deposited On:13 May 2015 22:59
Last Modified:13 May 2015 22:59

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