DOI: 10.1063/1.1400129. Statistical mechanics of quantum-classical systems

Statistical mechanics of quantum-classical systems

10.1063/1.1400129

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

The statistical mechanics of systems whose evolution is governed by mixed quantum-classical dynamics is investigated. The algebraic properties of the quantum-classical time evolution of operators and of the density matrix are examined and compared to those of full quantum mechanics. The equilibrium density matrix that appears in this formulation is stationary under the dynamics and a method for its calculation is presented. The response of a quantum-classical system to an external force which is applied from the distant past when the system is in equilibrium is determined. The structure of the resulting equilibrium time correlation function is examined and the quantum-classical limits of equivalent quantum time correlation functions are derived. The results provide a framework for the computation of equilibrium time correlation functions for mixed quantum-classical systems.

Bibliography

Nielsen, S., Kapral, R., & Ciccotti, G. (2001). Statistical mechanics of quantum-classical systems. The Journal of Chemical Physics, 115(13), 5805â5815.

Authors 3

Steve Nielsen (first)
Raymond Kapral (additional)
Giovanni Ciccotti (additional)

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Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 8:44 a.m.)
Deposited	1 year, 6 months ago (Feb. 6, 2024, 8:28 p.m.)
Indexed	1 week ago (Aug. 27, 2025, 12:29 p.m.)
Issued	23 years, 11 months ago (Oct. 1, 2001)
Published	23 years, 11 months ago (Oct. 1, 2001)
Published Print	23 years, 11 months ago (Oct. 1, 2001)

Funders 0

None

BibTeX

@article{Nielsen_2001, title={Statistical mechanics of quantum-classical systems}, volume={115}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1400129}, DOI={10.1063/1.1400129}, number={13}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Nielsen, Steve and Kapral, Raymond and Ciccotti, Giovanni}, year={2001}, month=oct, pages={5805–5815} }

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