Statistical mechanics of quantum-classical systems

Publication Type:

Journal Article

Authors:

Source:

Journal of Chemical Physics, Volume 115, Number 13, p.5805-5815 (2001)

URL:

https://www.scopus.com/inward/record.uri?eid=2-s2.0-0035473741&doi=10.1063%2f1.1400129&partnerID=40&md5=2868d7bf70ef39b3b22a4882fb30ca33

Keywords:

Correlation methods, Degrees of freedom (mechanics), Environment induced quantum transitions, Equilibrium density matrix, Matrix algebra, Molecular dynamics, Monte Carlo methods, Phase equilibria, Probability density function, Quantum classical systems, Quantum Liouville equation, Quantum Theory, Statistical mechanics

Abstract:

An attempt was made to develop the statistical mechanics of mixed quantum-classical systems. As a first step, the evolution equation for the mixed quantum-classical density matrix was considered. The structure of the resulting equilibrium time correlation function was examined and the quantum-classical limits of equivalent time correlation functions were derived. Based on the results, a framework was established for the computation of equilibrium time correlation functions for mixed quantum-classical systems.

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