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The Journal of Chemical Physics
Article . 2004 . Peer-reviewed
Data sources: Crossref
https://dx.doi.org/10.48550/ar...
Article . 2004
License: arXiv Non-Exclusive Distribution
Data sources: Datacite
MPG.PuRe
Article . 2004
Data sources: MPG.PuRe
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Quantum-classical limit of quantum correlation functions

Authors: SERGI, ALESSANDRO; Kapral, Raymond;

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.

Country
Italy
Keywords

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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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
26
Top 10%
Top 10%
Top 10%
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bronze
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