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Bulletin of the American Physical Society

Dynamics of Large Quantum Systems: Equilibration, Thermalization and Interactions

Dvira Segal, Manas Kulkarni, Kunal L. Tiwari

Published Mar 21, 2013• 0 citations
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The circumstances under which a system reaches thermal equilibrium, and how to derive this from basic dynamical laws, has been a major question from the very beginning of thermodynamics and statistical mechanics. Despite considerable progress, it remains an open problem. Motivated by this issue, we address the more general question of equilibration. We prove, with virtually full generality, that reaching equilibrium is a universal property of quantum systems: almost any subsystem in interaction with a large enough bath will reach an equilibrium state and remain close to it for almost all times. We also prove several general results about other aspects of thermalization besides equilibration, for example, that the equilibrium state does not depend on the detailed microstate of the bath.
There is a renewed interest in the derivation of statistical mechanics from the dynamics of closed quantum systems. A central part of this program is to understand how closed quantum systems, i.e., in the absence of a thermal bath, initialized far-from-equilibrium can share a dynamics that is typical to the relaxation towards thermal equilibrium. Equilibration dynamics has been traditionally studied with a focus on the so-called quenches of large-scale many-body systems. We consider here the equilibration of a two-dimensional molecular model system describing the double proton transfer reaction in porphine. Using numerical simulations, we show that equilibration indeed takes place very rapidly (∼200 fs) for initial states induced by pump-dump laser pulse control with energies well above the synchronous barrier. The resulting equilibration state is characterized by a strong delocalization of the probability density of the protons that can be explained, mechanistically, as the result of (i) an initial state consisting of a large superposition of vibrational states, and (ii) the presence of a very effective dephasing mechanism.
We study transport properties of weakly interacting one-dimensional electron systems including on an equal footing thermal equilibration due to three-particle collisions and the effects of large-scale inhomogeneities. We show that equilibration in an inhomogeneous quantum wire is characterized by the competition of interaction processes which reduce the electrons total momentum and such which change the number of right- and left-moving electrons. We find that the combined effect of interactions and inhomogeneities can dramatically increase the resistance of the wire. In addition, we find that the interactions strongly affect the thermoelectric properties of inhomogeneous wires and calculate their thermal conductance, thermopower, and Peltier coefficient.