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

Abstract

Abstract. The dissipative quantum systems are treated using Klein-Kramers equation, combined with the Gaussian kernel trajectory ensemble, for time evolution of Wigner function ρw(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.