Quantum-Classical Limit of Quantum Correlation Functions

Abstract

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.

References in corpus (2)

• Methods for molecular dynamics with nonadiabatic transitions
• A Fully Self-Consistent Treatment of Collective Fluctuations in Quantum Liquids

Cited by in corpus (7)

• Decoherence and Quantum-Classical Master Equation Dynamics
• Heat transfer statistics in mixed quantum-classical systems
• Embedding quantum systems with a non-conserved probability in classical environments
• A Quantum-Classical Model of Brain Dynamics
• Mapping Approach for Quantum-Classical Time Correlation Functions
• Schrödinger-type 2D coherent states of magnetized uniaxially strained graphene
• NQCDynamics.jl: A Julia Package for Nonadiabatic Quantum Classical Molecular Dynamics in the Condensed Phase