Quantum decoherence of I2 in liquid xenon: A classical Wigner approach

Abstract

Vibrational decoherence of a "breathing sphere" oscillator in a thermal Lennard-Jones bath is examined using a classical analog approach. The equivalence between this approach and the linearized semiclassical initial value representation (IVR) is established and the method is exploited to produce a useful computational strategy that can efficiently evaluate the time dependence of the decoherence in these systems. A comparison between Harmonic and Morse "breathing sphere" models is presented and the rate of decoherence is found to depend on the choice of model, the initial state of the oscillator, the initial conditions of the bath (temperature, density), and the choice of quantity measuring the decoherence rate. The results are used to examine the utility of the Caldeira-Leggett model in this realistic system.