Autocorrelation function: Entangled trajectory molecular dynamics method

被引：11
|
作者：
Wang, Lifei [1 ]
Zheng, Yujun [1 ]
机构：
[1] Shandong Univ, Sch Phys, Jinan 250100, Peoples R China
来源：
CHEMICAL PHYSICS LETTERS | 2013年 / 563卷
基金：
美国国家科学基金会;
关键词：
ELECTRIC-FIELD; SURFACE;
D O I：
10.1016/j.cplett.2013.01.069
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：
The autocorrelation function is investigated in the formalism of entangled trajectory molecular dynamics. We investigate the contribution of individual trajectory of the entangled trajectory ensemble to the autocorrelation function, and show the vivid physical picture of the autocorrelation via individual entangled trajectory. Also, it is shown that the 'autocorrelation' of trapped entangled trajectory is bigger than that of escaped entangled trajectory. (C) 2013 Elsevier B. V. All rights reserved.
引用
收藏
页码：112 / 115
页数：4
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