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arXiv:2207.04810 · SciPost Physics Core

Thermalization of the quantum planar rotor with external potential

Birthe Schrinski, Yoon Jun Chan, Björn Schrinski

Published Apr 30, 2025• 1 citation
arXivHTMLPDF

Abstract

We study decoherence, diffusion, friction, and how they thermalize a planar rotor in the presence of an external potential. Representing the quantum master equation in terms of auxiliary Wigner functions in periodic phase space not only illustrates the thermalization process in a concise way, but also allows for an efficient numerical evaluation of the open quantum dynamics and its approximate analytical description. In particular, we analytically and numerically verify the existence of a steady state that, in the high-temperature regime, closely approximates a Gibbs state. We also derive the proper classical limit of the planar rotor time evolution and present exemplary numerical studies to verify our results.

DOI
10.21468/scipostphyscore.8.2.040

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We study decoherence, diffusion, friction, and how they thermalize a planar rotor in the presence of an external potential. Representing the quantum master equation in terms of auxiliary Wigner functions in periodic phase space not only illustrates the thermalization process in a concise way, but also allows for an efficient numerical evaluation of the open quantum dynamics and its approximate analytical description. In particular, we analytically and numerically verify the existence of a steady state that, in the high-temperature regime, closely approximates a Gibbs state. We also derive the proper classical limit of the planar rotor time evolution and present exemplary numerical studies to verify our results.
Abstract An approximation to the description of the dynamics of a quantum planar rotor coupled to a finite temperature bath is derived by considering a microscopic model of interaction based on an angular momentum exchange with two different environments coupled independently to the positive and negative angular momentum spectrum. A non-Lindblad master equation is derived for this microscopic model by using the Born–Markov approximation in the weak coupling limit. We show that under this approximation the rotor dynamics presents the correct damping behavior of the motion and the thermal state reached by the rotor is in the form of Boltzmann distribution. The case of the quantum rotor in an external uniform field and the quantum kicked rotor are briefly discussed as exemplification.
Recent progress in our understanding of quantum effects on the Brownian motion in an external potential is reviewed. This problem is ubiquitous in physics and chemistry, particularly in the context of decay of metastable states, for example, the reversal of the magnetization of a single domain ferromagnetic particle, kinetics of a superconducting tunnelling junction, etc. Emphasis is laid on the establishment of master equations describing the diffusion process in phase space analogous to the classical Fokker-Planck equation. In particular, it is shown how Wigner's [E. P. Wigner, Phys. Rev., 1932, 40, 749] method of obtaining quantum corrections to the classical equilibrium Maxwell-Boltzmann distribution may be extended to the dissipative non-equilibrium dynamics governing the quantum Brownian motion in an external potential V(x), yielding a master equation for the Wigner distribution function W(x,p,t) in phase space (x,p). The explicit form of the master equation so obtained contains quantum correction terms up to o(h(4)) and in the classical limit, h --> 0, reduces to the classical Klein-Kramers equation. For a quantum oscillator, the method yields an evolution equation coinciding in all respects with that of Agarwal [G. S. Agarwal, Phys. Rev. A, 1971, 4, 739]. In the high dissipation limit, the master equation reduces to a semi-classical Smoluchowski equation describing non-inertial quantum diffusion in configuration space. The Wigner function formulation of quantum Brownian motion is further illustrated by finding quantum corrections to the Kramers escape rate, which, in appropriate limits, reduce to those yielded via quantum generalizations of reaction rate theory.
Open Quantum Brownian Motion (OQBM) is a new class of quantum Brownian motion in which the dynamics of the Brownian particle depend not only on interactions with a thermal environment but also on the state of its internal degrees of freedom. For an Ohmic bath spectral density with a Lorentz--Drude cutoff frequency at a high-temperature limit, we derive the Born--Markov master equation for the reduced density matrix of an open Brownian particle in a harmonic potential. The resulting master equation is written in phase-space representation using the Wigner function, and due to the separation of associated timescales in the high-damping limit, we perform adiabatic elimination of the momentum variable to obtain OQBM. We numerically solve the derived master equation for the reduced density matrix of the OQBM, using both Gaussian and non-Gaussian initial distributions. In each case, the OQBM dynamics converge to several Gaussian distributions. To gain physical insight into the studied system, we also plotted the dynamics of the off-diagonal element of the open quantum Brownian particle and found damped coherent oscillations. Finally, we investigated the time-dependent variance in the position of the OQBM walker and observed initial diffusive spreading, followed by a crossover to a finite steady-state value.
The time evolution of a Gaussian density matrix of a one dimensional particle, generated by a quadratic, O(∂t2){\cal O}(\partial_t^2)O(∂t2​) effective Lagrangian, describing a harmonic potential, a friction force and decoherence, is studied within the Closed Time Path formalism. The density matrix converges to an asymptotic form, given by a completely decohered thermal state with an O(ℏ){\cal O}(\hbar)O(ℏ) temperature in the translation invariant case. The time evolution of the state of a harmonic oscillator is followed numerically. The asymptotic density matrix, the fixed point of the master equation, is found analytically and its dependence on the oscillator frequency, the friction constant and the decoherence strength is explored.
Kinetic theory provides modeling of open quantum systems subject to Markovian noise via the Wigner-Fokker-Planck equation, which is an alternate of the Lindblad master equation setting, having the advantage of great physical intuition as it is the quantum equivalent of the classical phase space description. We perform a numerical inspection of the Wehrl entropy for the benchmark problem of a harmonic potential, since the existence of a steady state and its analytical formula have been proven theoretically in this case. When there is friction in the noise terms, no theoretical results on the monotonicity of absolute entropy are available. We provide numerical results of the time evolution of the entropy in the case with friction using a stochastic (Euler-Maruyama-based Monte Carlo) numerical solver. For all the chosen initial conditions studied (all of them Gaussian states), up to the inherent numerical error of the method, one cannot disregard the possibility of monotonic behavior even in the case under study, where the noise includes friction terms.