Separation of the Electric Polarization into Fast and Slow Components: A Comparison of Two partition Schemes

M. A. Aguilar

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Separation of the Electric Polarization into Fast and Slow Components: A Comparison of Two partition Schemes

机译：将电极化分离为快速和慢速分量：两种分配方案的比较

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The study of nonequilibrium solvation with a dielectric continuum model requires splitting the electric polarization into two terms characterized by different relaxation times. There exist various schemes to perform this partition. We show that contrary to what had previously been indicated, the two most commonly used partition schemes, Pekar and Brady and Carr, yield the same value for the total reaction field and for the nonequilibrium free energy whenever one assumes a linear response a linear response regime. The confusion appears because in the older Pekar partition the part of the fast polarization in equilibrium with the nuclear polarization is included in the slow component.

机译：用介电连续体模型研究非平衡溶剂化需要将极化分为两个特征，即弛豫时间不同。存在各种执行该分区的方案。我们表明，与先前指出的相反，两种最常用的分配方案（Pekar和Brady和Carr）对于总反应场和非平衡自由能，只要有人假设线性响应为线性响应方案，则得出相同的值。之所以出现混乱，是因为在较旧的Pekar分区中，与核极化平衡的快速极化部分包含在慢速分量中。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2001年第45期|共4页
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M. A. Aguilar;
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正文语种 eng
中图分类物理化学（理论化学）、化学物理学;
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1. Separation of the Electric Polarization into Fast and Slow Components: A Comparison of Two partition Schemes [J] . M. A. Aguilar The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2001,第45期

机译：将电极化分离为快速和慢速分量：两种分配方案的比较
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Separation of the Electric Polarization into Fast and Slow Components: A Comparison of Two partition Schemes

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