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arXiv:cond-mat/0407454 · Journal of Physics A Mathematical and General

The Caldeira–Leggett quantum master equation in Wigner phase space: continued-fraction solution and application to Brownian motion in periodic potentials

J L García-Palacios, David Zueco

Published Oct 29, 2004• 51 citations
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Abstract

The continued-fraction method of solving classical Fokker–Planck equations has been adapted to tackle quantum master equations of the Caldeira–Leggett type. This was done taking advantage of the phase-space (Wigner) representation of the quantum density matrix. The approach differs from those in which some continued-fraction expression is found for a certain quantity, in that the full solution of the master equation is obtained by continued-fraction methods. This allows us to study in detail the effects of the environment (fluctuations and dissipation) on several classes of nonlinear quantum systems. We apply the method to the canonical problem of quantum Brownian motion in periodic potentials both for cosine and ratchet potentials (lacking inversion symmetry).

DOI
10.1088/0305-4470/37/45/003

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The continued-fraction method of solving classical Fokker–Planck equations has been adapted to tackle quantum master equations of the Caldeira–Leggett type. This was done taking advantage of the phase-space (Wigner) representation of the quantum density matrix. The approach differs from those in which some continued-fraction expression is found for a certain quantity, in that the full solution of the master equation is obtained by continued-fraction methods. This allows us to study in detail the effects of the environment (fluctuations and dissipation) on several classes of nonlinear quantum systems. We apply the method to the canonical problem of quantum Brownian motion in periodic potentials both for cosine and ratchet potentials (lacking inversion symmetry).
Inspired by the continued-fraction technique to solve the classical Fokker-Planck equation, we develop continued-fraction methods to solve quantum master equations in phase space (Wigner representation of the density matrix). The approach allows to study several classes of nonlinear quantum systems subjected to environmental effects (fluctuations and dissipation), with the only limitations that the starting master equations may have. We illustrate the method with the canonical problem of quantum Brownian motion in periodic potentials.
The quantum Brownian motion of a particle in a periodic potential V ( x )=− V 0 cos( x / x 0 ) is treated using the master equation for the Wigner distribution function W ( x , p , t ) in phase space ( x , p ). Explicit equations for the diffusion coefficients of the master equation for this dissipative quantum system are derived. The dynamic structure factor S ( k , t ) and escape rate Γ are evaluated using matrix continued fractions. The matrix continued fraction calculation for Γ agrees well with the analytical solution of the corresponding quantum Kramers turnover problem.
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.
Understanding the behavior of a quantum system coupled to its environment is of fundamental interest in the general field of quantum technologies. It also has important repercussions on foundational problems in physics, such as the process of decoherence and the so-called quantum measurement problem. There have been many approaches to explore Markovian and non-Markovian dynamics within the framework of open quantum systems, but the richness of the ensuing dynamics is still not fully understood. In this paper we develop a non-Markovian extension of the standard Caldeira-Leggett model, based on expanding the dynamics of the reduced system at high temperature in inverse powers of the high-frequency cutoff of the Ohmic spectral density of the environment and derive a non-Markovian master equation for the reduced density matrix for the case of a general potential. We also obtain a fully analytical solution in the free particle case. While the short-time behavior of this solution does not diverge substantially from the Markovian behavior, at intermediate times we find a resurgence of coherence, which we name lateral coherence. We identify this with a corresponding transient negative entropy production rate, which is understood to be characteristic of non-Markovian dynamics. We also analyze the positivity of the reduced density matrix and derive the corresponding Fokker-Planck equation in the classical limit.
We revisit Caldeira-Leggett's quantum master equation representing mixed quantum-classical theory, but with limited applications. Proposed is a Fokker-Planck quantum master equation theory, with a generic bi-exponential correlation function description on semiclassical Brownian oscillators' environments. The new theory has caustic terms that bridge between the quantum description on primary systems and the semiclassical or quasi-classical description on environments. Various parametrization schemes, both analytical and numerical, for the generic bi-exponential environment bath correlation functions are proposed and scrutinized. The Fokker-Planck quantum master equation theory is of the same numerical cost as the original Caldeira-Leggett's approach but acquires a significantly broadened validity and accuracy range, as illustrated against the exact dynamics on model systems in quantum Brownian oscillators' environments, at moderately low temperatures.
The theory of Brownian motion of a quantum oscillator is developed. The Brownian motion is described by a model Hamiltonian which is taken to be the one describing the interaction between this oscillator and a reservoir. Use is made of the master equation recently derived by the author, to obtain the equation of motion for the various reduced phase-space distribution functions that are obtained by mapping the density operator onto ccc-number functions. The equations of motion for the reduced phase-space distribution functions are found to be of the Fokker-Planck type. On transforming the Fokker-Planck equation to real variables, it is found to have the same form as the Fokker-Planck equation obtained by Wang and Uhlenbeck to describe the Brownian motion of a classical oscillator. The Fokker-Planck equation is solved for the conditional probability (Green's function) which is found to be in the form of a two-dimensional Gaussian distribution. This solution is then used to obtain various time-dependent quantum statistical properties of the oscillator. Next, the entropy for a quantum oscillator undergoing Brownian motion is calculated and we show that this system approaches equilibrium as $t\ensuremath{\rightarrow}\ensuremath{\infty}$. Finally we show that in the weak-coupling limit the Fokker-Planck equation reduces to the one obtained by making the usual rotating-wave approximation.