Time Evolution of Wigner Function in Dissipative Quantum Systems Using Entangled Trajectory Molecular Dynamics

Authors

  • Lifei Wang School of Science, Shandong Jiaotong University, Jinan 250357, China
  • Yan Wang Department of Applied Mathematics, Hebei University of Technology, Tinajin 300130, China
  • Qin Zhang School of Science, Shandong Jiaotong University, Jinan 250357, China
  • Haibo Sun School of Science, Shandong Jiaotong University, Jinan 250357, China
  • Juan Zhao School of Electronics and Information, Xi’an Polytechnic University, Xi’an 710048, China

DOI:

https://doi.org/10.4208/jams.053016.072116a

Keywords:

Klein-Kramers equation, Wigner function, entangled trajectory molecular dynamics.

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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Published

2016-07-01

Issue

Vol. 7 No. 4 (2016)

Section

Articles