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arXiv:0812.2520 · Journal of Physics A Mathematical and Theoretical

The approach to thermal equilibrium in the Caldeira–Leggett model

Fethi M. Ramazanoğlu

Published Jun 8, 2009• 17 citations
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Abstract

We compare the long time behaviour and approach to thermal equilibrium of the one-dimensional Caldeira–Leggett model for the master equation in Lindblad and non-Lindblad forms. We first solve the explicit time evolution for the free particle and harmonic oscillator systems and show that our results agree with previous such attempts, and then show that Lindblad and non-Lindblad cases lead to the same evolution when we take the limitations of the Caldeira–Leggett model into account.

DOI
10.1088/1751-8113/42/26/265303

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We compare the long time behaviour and approach to thermal equilibrium of the one-dimensional Caldeira–Leggett model for the master equation in Lindblad and non-Lindblad forms. We first solve the explicit time evolution for the free particle and harmonic oscillator systems and show that our results agree with previous such attempts, and then show that Lindblad and non-Lindblad cases lead to the same evolution when we take the limitations of the Caldeira–Leggett model into account.
The Caldeira-Leggett master equation for dissipative quantum dynamics has predominantly been implemented in phase space, where it plays the role of a quantum Fokker-Planck equation. Here we demonstrate the feasibility of a pure coordinate space implementation in the case of intermediate damping strength and temperature, for times long enough to observe thermal equilibration. After a thorough numerical investigation of the analytically solvable harmonic oscillator case, a Morse oscillator model is studied. This is a case in which a quantal phase space approach would be difficult to implement and we show how analytical results for thermal averages are reproduced to a surprisingly high degree.
The standard Caldeira-Leggett model addresses the problem of Brownian motion in a thermal equilibrium environment. Here, we look for generalizations of the Caldeira-Leggett model to account for thermal gradients in the environment. We devise two types of models, and discuss the advantages and limitations of each one. From both models, we find signatures of thermophoresis, i.e., particle transport due to a thermal gradient. In principle, our models can be employed to describe thermophoresis in quantum Brownian particles, an open problem so far.
The Caldeira–Leggett (CL) model describes a microscopic quantum system, represented by a harmonic oscillator, in interaction with a heat bath, represented by a large number of harmonic oscillators with a range of frequencies. We consider the case when the system oscillator starts out in the ground state and then thermalizes due to interactions with the heat bath, which is at temperature θ. We calculate the position autocorrelation function 〈x(t')x(t)〉 of the system oscillator at two different times and study its behavior in the small and large time limits. Our results show that the system oscillator thermalizes as expected. We also confirm by explicit calculation that the position autocorrelation function exhibits periodicity for imaginary values of the time difference t'-t = iτ at late-(real) times t.
Six major theories of quantum dissipative dynamics are compared: Redfield theory, the Gaussian phase space ansatz of Yan and Mukamel, the master equations of Agarwal, Caldeira-Leggett/Oppenheim-Romero-Rochin, and Louisell/Lax, and the semigroup theory of Lindblad. The time evolving density operator from each theory is transformed into a Wigner phase space distribution, and classical-quantum correspondence is investigated via comparison with the phase space distribution of the classical Fokker-Planck (FP) equation. Although the comparison is for the specific case of Markovian dynamics of the damped harmonic oscillator with no pure dephasing, certain inferences can be drawn about general systems. The following are our major conclusions: (1) The harmonic oscillator master equation derived from Redfield theory, in the limit of a classical bath, is identical to the Agarwal master equation. (2) Following Agarwal, the Agarwal master equation can be transformed to phase space, and differs from the classical FP equation only by a zero point energy in the diffusion coefficient. This analytic solution supports Gaussian solutions with the following properties: the differential equations for the first moments in p and q and all but one of the second moments (q2 and pq but not p2) are identical to the classical equations. Moreover, the distribution evolves to the thermal state of the bare quantum system at long times. (3) The Gaussian phase space ansatz of Yan and Mukamel (YM), applied to single surface oscillator dynamics, reduces to the analytical Gaussian solutions of the Agarwal phase space master equation. It follows that the YM ansatz is also a solution to the Redfield master equation. (4) The Agarwal/Redfield master equation has a structure identical to that of the master equation of Caldeira-Leggett/Oppenheim-Romero-Rochin, but the two are equivalent only in the high temperature limit. (5) The Louisell/Lax HO master equation differs from the Agarwal/Redfield form by making a rotating wave approximation (RWA), i.e., keeping terms of the form ââ†,â†â and neglecting terms of the form â†â†,ââ. When transformed into phase space, the neglect of these terms eliminates the modulation in time of the energy dissipation, modulation which is present in the classical solution. This neglect leads to a position-dependent frictional force which violates the principle of translational invariance. (6) The Agarwal/Redfield (AR) equations of motion are shown to violate the semigroup form of Lindblad required for complete positivity. Considering the triad of properties: complete positivity, translational invariance and asymptotic approach to thermal equilibrium, AR sacrifices the first while Lindblad’s form must sacrifice either the second or the third. This implies that for certain initial states Redfield theory can violate simple positivity; however, for a wide range of initial Gaussians, the solution of the AR equations does maintain simple positivity, and thus for these states appears to be distinctly more physical than the solution of the semigroup equations.
We propose a family of master equations for local quantum dissipation. The master equations are constructed in the form of Lindblad generators, with the constraints that the dissipation be strictly linear (i.e., Ohmic), isotropic, and translationally invariant. The resulting master equations are given in both the Schr\"odinger and Heisenberg forms. We obtain fluctuation-dissipation relations, and discuss the relaxation of average kinetic energy to effective thermal equilibrium values. We compare our results for one dimension to the Dekker master equation [H. Dekker, Phys. Rep. 80, 1 (1981)], which can be interpreted as a low-length-scale approximation of our model, as well as the Caldeira-Leggett master equation [A.O. Caldeira and A. J. Leggett, Physica (Utrecht) A 121, 587 (1983)].