Volume 7, Issue 4
Time evolution of Wigner function in dissipative quantum systems using entangled trajectory molecular dynamics

L.-F. Wang


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

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  • Abstract

The dissipative quantumsystems 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 andmetastable 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.

  • History

Published online: 2016-07

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