Quantum-classical limit of quantum correlation functions

Publication Type:

Journal Article

Authors:

Source:

Journal of Chemical Physics, Volume 121, Number 16, p.7565-7576 (2004)

URL:

https://www.scopus.com/inward/record.uri?eid=2-s2.0-8344256586&doi=10.1063%2f1.1797191&partnerID=40&md5=b3e2a5287011106dd2d1128df269f9b3

Keywords:

Algorithms, Approximation theory, Computer Simulation, Continuum mechanics, Degrees of freedom (mechanics), Equations of motion, Hamiltonians, Integral equations, Liouville operator, Mathematical models, Mathematical operators, Mathematical transformations, Probability density function, Quantum systems, Quantum Theory, Quantum-classical limit, Statistical methods, Surface-hopping dynamics, Vectors

Abstract:

A derivation of quantum-classical limit of the canonical equilibrium time correlation for a quantum system, was described. The quantum-classical limit for the dynamics was obtained for quantum systems which consisted of a subsystem of light particles in a bath of heavy quantum particles. The time evolution of operators was determined within the quantum-classical limit, but the full equilibrium canonical statistical description of initial condition was retained. The obtained quantum-classical correlation function simulates the transport properties of quantum systems using quantum-classical surface-hopping dynamics combined with sampling schemes for quantum equilibrium structure.

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