Time-Dependent Density Functional Theory of Polarization Relaxation under External Field

被引：3

作者：

Uematsu, Yuichiro ^{[1
]}

Yoshimori, Akira ^{[1
]}

机构：

[1] Kyushu Univ, Dept Phys, Fukuoka 8128581, Japan

来源：

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN | 2013年 / 82卷 / 01期

基金：

日本学术振兴会;

关键词：

molecular liquid; dipolar solvent; inhomogeneity; linearized equation; number density; orientation dependent density field; rotational invariant; SITE-MODEL DESCRIPTION; MEAN SPHERICAL MODEL; HYPER-MOBILE WATER; TRANSLATIONAL DIFFUSION; SOLVATION DYNAMICS; MOLECULAR LIQUIDS; AQUEOUS SOLUTIONS; ACTIN-FILAMENTS; POLAR LIQUIDS; SOLVENTS;

D O I：

10.7566/JPSJ.82.013001

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

A new inhomogeneous time-dependent density functional theory is proposed to study an effect of external field on the polarization relaxation of molecular liquids. The effect of external field is considered by the number density of solvent molecules, and the homogeneous approximation introduced by many previous studies is not employed. To demonstrate the validity of the theory, the spatial distribution of the relaxation time is calculated in a polar solvent system with an ion. The calculated results show a notable effect of translational diffusion on the spatial distribution of the polarization relaxation time.

引用

页数：4

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