Volume 7, Issue 4
Time Evolution of Wigner Function in Dissipative Quantum Systems Using Entangled Trajectory Molecular Dynamics

Lifei Wang, Yan Wang, Qin Zhang, Haibo Sun & Juan Zhao

J. At. Mol. Sci., 7 (2016), pp. 172-183.

Published online: 2016-07

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  • Abstract

The dissipative quantum systems are treated using Klein-Kramers equation, combined with the Gaussian kernel trajectory ensemble, for time evolution of Wigner function $ρ_ω(q, p, t)$ 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.

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COPYRIGHT: © Global Science Press

  • Email address

wanglf@sdjtu.edu.cn (Lifei Wang)

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@Article{JAMS-7-172, author = {Wang , LifeiWang , YanZhang , QinSun , Haibo and Zhao , Juan}, title = {Time Evolution of Wigner Function in Dissipative Quantum Systems Using Entangled Trajectory Molecular Dynamics}, journal = {Journal of Atomic and Molecular Sciences}, year = {2016}, volume = {7}, number = {4}, pages = {172--183}, abstract = {

The dissipative quantum systems are treated using Klein-Kramers equation, combined with the Gaussian kernel trajectory ensemble, for time evolution of Wigner function $ρ_ω(q, p, t)$ 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.

}, issn = {2079-7346}, doi = {https://doi.org/10.4208/jams.053016.072116a}, url = {http://global-sci.org/intro/article_detail/jams/8156.html} }
TY - JOUR T1 - Time Evolution of Wigner Function in Dissipative Quantum Systems Using Entangled Trajectory Molecular Dynamics AU - Wang , Lifei AU - Wang , Yan AU - Zhang , Qin AU - Sun , Haibo AU - Zhao , Juan JO - Journal of Atomic and Molecular Sciences VL - 4 SP - 172 EP - 183 PY - 2016 DA - 2016/07 SN - 7 DO - http://doi.org/10.4208/jams.053016.072116a UR - https://global-sci.org/intro/article_detail/jams/8156.html KW - Klein-Kramers equation, Wigner function, entangled trajectory molecular dynamics. AB -

The dissipative quantum systems are treated using Klein-Kramers equation, combined with the Gaussian kernel trajectory ensemble, for time evolution of Wigner function $ρ_ω(q, p, t)$ 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.

Lifei Wang, Yan Wang, Qin Zhang, Haibo Sun & Juan Zhao. (2019). Time Evolution of Wigner Function in Dissipative Quantum Systems Using Entangled Trajectory Molecular Dynamics. Journal of Atomic and Molecular Sciences. 7 (4). 172-183. doi:10.4208/jams.053016.072116a
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