Gaussian field model of dielectric solvation dynamics

被引:93
作者
Song, XY
Chandler, D
Marcus, RA
机构
[1] UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
[2] CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125
关键词
D O I
10.1021/jp960887e
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Extending the Gaussian model of salvation (Chandler, D. Phys. Rev. E 1993, 48, 2898) to dynamics, we focus specifically an 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.
引用
收藏
页码:11954 / 11959
页数:6
相关论文
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