The quantum canonical ensemble in phase space

  • The density operator for a quantum system in thermal equilibrium with its environment depends on Planck’s constant, as well as the temperature. At high temperatures, the Weyl representation, that is, the thermal Wigner function, becomes indistinguishable from the corresponding classical distribution in phase space, whereas the low temperature limit singles out the quantum ground state of the system’s Hamiltonian. In all regimes, thermal averages of arbitrary observables are evaluated by integrals, as if the thermal Wigner function were a classical distribution. The extension of the semiclassical approximation for quantum propagators to an imaginary thermal time, bridges the complex intervening region between the high and the low temperature limit. This leads to a simple quantum correction to the classical high temperature regime, irrespective of whether the motion is regular or chaotic. A variant of the full semiclassical approximation with a real thermal time, though in a doubledThe density operator for a quantum system in thermal equilibrium with its environment depends on Planck’s constant, as well as the temperature. At high temperatures, the Weyl representation, that is, the thermal Wigner function, becomes indistinguishable from the corresponding classical distribution in phase space, whereas the low temperature limit singles out the quantum ground state of the system’s Hamiltonian. In all regimes, thermal averages of arbitrary observables are evaluated by integrals, as if the thermal Wigner function were a classical distribution. The extension of the semiclassical approximation for quantum propagators to an imaginary thermal time, bridges the complex intervening region between the high and the low temperature limit. This leads to a simple quantum correction to the classical high temperature regime, irrespective of whether the motion is regular or chaotic. A variant of the full semiclassical approximation with a real thermal time, though in a doubled phase space, avoids any search for particular trajectories in the evaluation of thermal averages. The double Hamiltonian substitutes the stable minimum of the original system’s Hamiltonian by a saddle, which eliminates local periodic orbits from the stationary phase evaluation of the integrals for the partition function and thermal averages.show moreshow less

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Metadaten
Author:Alfredo M. Ozorio de AlmeidaORCiD, Gert-Ludwig IngoldORCiDGND, Olivier BrodierORCiD
URN:urn:nbn:de:bvb:384-opus4-871747
Frontdoor URLhttps://opus.bibliothek.uni-augsburg.de/opus4/87174
Parent Title (English):Physica D: Nonlinear Phenomena
Publisher:Elsevier
Place of publication:Amsterdam
Type:Article
Language:English
Year of first Publication:2021
Publishing Institution:Universität Augsburg
Release Date:2021/06/01
Volume:424
First Page:132951
DOI:https://doi.org/10.1016/j.physd.2021.132951
Institutes:Mathematisch-Naturwissenschaftlich-Technische Fakultät
Mathematisch-Naturwissenschaftlich-Technische Fakultät / Institut für Physik
Mathematisch-Naturwissenschaftlich-Technische Fakultät / Institut für Physik / Lehrstuhl für Theoretische Physik I
Dewey Decimal Classification:5 Naturwissenschaften und Mathematik / 50 Naturwissenschaften / 500 Naturwissenschaften und Mathematik
Licence (German):CC-BY-NC-ND 4.0: Creative Commons: Namensnennung - Nicht kommerziell - Keine Bearbeitung (mit Print on Demand)