Molecular Physics

Wigner approach to quantum statistical mechanics and quantum generalization molecular dynamics method. Part 1

Vladimir S. Filinov

Published Aug 1, 1996• 56 citations

Abstract

A new numerical approach to time correlation functions in the Wigner representation of quantum statistical mechanics has been developed. The time correlation functions have been presented in the form of the integral of the Weil symbol of operators and the Fourier transform of the product of matrix elements of the dynamic propagators. For the last function the integral Wigner-Liouville type equation has been derived. The initial condition for this equation has been obtained in the form of the Fourier transform of the Wiener path integral representation of the matrix elements of the propagators at initial time. The numerical procedure for solving this equation combining both molecular dynamics and Monte Carlo methods has been developed.

DOI: 10.1080/00268979609484533

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