Time evolution of Wigner function in dissipative quantum systems using entangled trajectory molecular dynamics

被引：0

作者：

Wang, Lifei ^{[1
]}

Wang, Yan ^{[2
]}

Zhang, Qin ^{[1
]}

Sun, Haibo ^{[1
]}

Zhao, Juan ^{[1
]}

机构：

[1] Shandong Jiaotong Univ, Sch Sci, Jinan 250357, Peoples R China

[2] Southwest Forestry Coll, Dept Comp & Informat Sci, Kunming 650224, Peoples R China

来源：

JOURNAL OF ATOMIC AND MOLECULAR SCIENCES | 2016年 / 7卷 / 04期

基金：

美国国家科学基金会;

关键词：

Klein-Kramers equation; Wigner function; entangled trajectory molecular dynamics;

D O I：

10.4208/jams.053016.072116a

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

摘要：

The dissipative quantum systems are treated using Klein-Kramers equation, combined with the Gaussian kernel trajectory ensemble, for time evolution of Wigner function rho(w)(q, p, t) in phase space. The entangled trajectory molecular dynamics approach is used to obtain trajectory solutions for the Klein-Kramers equation with three models: free particle, damped harmonic oscillator and metastable potential. It is found that the performance of semiclassical Wigner propagation is effectively for the relaxation of damped harmonic oscillator and dissipative decay of a metastable state. In addition, the energy of trajectory ensemble decays faster with smaller friction value and changes slightly with variable temperature parameters.

引用

页码：172 / 183

页数：12

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