
A quantum-classical limit of the canonical equilibrium time correlation function for a quantum system is derived. The quantum-classical limit for the dynamics is obtained for quantum systems comprising a subsystem of light particles in a bath of heavy quantum particles. In this limit the time evolution of operators is determined by a quantum-classical Liouville operator, but the full equilibrium canonical statistical description of the initial condition is retained. The quantum-classical correlation function expressions derived here provide a way to simulate the transport properties of quantum systems using quantum-classical surface-hopping dynamics combined with sampling schemes for the quantum equilibrium structure of both the subsystem of interest and its environment.
Molecular-Dynamics Method, Surface-Hopping Dynamics, Spin-Polarized Plasma, Statistical-Mechanics, Nonadiabatic Dynamics, Wigner Approach, Systems, Transitions, Time, Fuctuations, Statistical Mechanics (cond-mat.stat-mech), FOS: Physical sciences, Condensed Matter - Statistical Mechanics
Molecular-Dynamics Method, Surface-Hopping Dynamics, Spin-Polarized Plasma, Statistical-Mechanics, Nonadiabatic Dynamics, Wigner Approach, Systems, Transitions, Time, Fuctuations, Statistical Mechanics (cond-mat.stat-mech), FOS: Physical sciences, Condensed Matter - Statistical Mechanics
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