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Physical Review A

Quantum and classical Fokker-Planck equations for a Gaussian-Markovian noise bath

Yoshitaka Tanimura, Peter Guy Wolynes

Published Apr 1, 1991• 224 citations
Publisher

Abstract

The quantum Fokker-Planck equation for a Gaussian-Markovian bath is deduced by applying a method proposed by Tanimura and Kubo [J. Phys. Soc. Jpn. 58, 101 (1989)]. The results are expressed in the form of simultaneous differential equations in terms of density operators and can treat strong system-bath interactions where the correlated effects of the noise play an important role. The classical Fokker-Planck equation for a Gaussian-Markovian noise is obtained by performing the Wigner transformation, and its equilibrium state is shown to be the Maxwell-Boltzmann distribution. The method is convenient for numerical studies. Calculations for quantum-system harmonic oscillators and the double-well potential problems are demonstrated for cases of Gaussian-white noise and Gaussian-Markovian noise.

DOI
10.1103/physreva.43.4131

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The quantum Fokker-Planck equation for a Gaussian-Markovian bath is deduced by applying a method proposed by Tanimura and Kubo [J. Phys. Soc. Jpn. 58, 101 (1989)]. The results are expressed in the form of simultaneous differential equations in terms of density operators and can treat strong system-bath interactions where the correlated effects of the noise play an important role. The classical Fokker-Planck equation for a Gaussian-Markovian noise is obtained by performing the Wigner transformation, and its equilibrium state is shown to be the Maxwell-Boltzmann distribution. The method is convenient for numerical studies. Calculations for quantum-system harmonic oscillators and the double-well potential problems are demonstrated for cases of Gaussian-white noise and Gaussian-Markovian noise.
This article has to do with the derivation and solution of the Fokker-Planck equation associated to the momentum-integrated Wigner function of a particle subjected to a harmonic external field in contact with an ohmic thermal bath of quantum harmonic oscillators. The strategy employed is a simplified version of the phenomenological approach of Schramm, Jung, and Grabert of interpreting the operators as c numbers to derive the quantum master equation arising from a twofold transformation of the Wigner function of the entire phase space. The statistical properties of the random noise comes from the integral functional theory of Grabert, Schramm, and Ingold. By means of a single Wigner transformation, a simpler equation than that mentioned before is found. The Wigner function reproduces the known results of the classical limit. This allowed us to rewrite the underdamped classical Langevin equation as a first-order stochastic differential equation with time-dependent drift and diffusion terms.
We develop a generalized quantum Fokker-Planck theory in a non-Gaussian-Markovian model bath. The semiclassical bath adopted in this work is charactered by three parameters. One denotes the strength of system-bath coupling and the other two are chosen to interpolate smoothly the solvation dynamics between the long- and short-time regimes. The fluctuation-dissipation relation in this model bath is analyzed in detail. Based on this model bath, we derive two sets of coupled Fokker-Planck equations. These two equation sets are equivalent in the second order of system-bath coupling but different in the higher orders. The corresponding reduced Liouville equation in one set of the Fokker-Planck formulation is characterized by a memory relaxation kernel, while that in the other is by a local-time relaxation tensor. Each resulting set of Fokker-Planck equations involves only the reduced density operator and a series of well-characterized Hilbert-space relaxation operators. The present theory is valid for arbitrary time-dependent Hamiltonians and is applicable to the study of quantum coherence and relaxation in various dynamic systems.
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.
A method to determine the resolvent of a quantum system coupled to a harmonic-oscillator bath is derived by extending the continued-fraction theory of a Gaussian-Markovian bath that has been presented by Tanimura and Kubo [J. Phys. Soc. Jpn. 58, 101 (1989)]. The results are expressed in terms of continued fractions and apply to an oscillator bath with a general spectral density, corresponding to colored noise, at various temperatures. Exact values of the resolvent can be calculated for arbitrary strength of the system-bath interaction by making use of the convergence properties of the continued fractions. For the weak-interaction case these results agree with the quantum master equation. The physical meaning of the results is also discussed by a diagrammatic method. As an application, the result of the Gaussian-Markovian system is extended to the case of the low-temperature bath. Correlated (unfactorized) initial conditions are also discussed.
The relaxation processes in a quantum system nonlinearly coupled to a harmonic Gaussian-Markovian heat bath are investigated by the quantum Fokker-Planck equation in the hierarchy form. This model describes frequency fluctuations in the quantum system with an arbitrary correlation time and thus bridges the gap between the Brownian oscillator model and the stochastic model by Anderson and Kubo. The effects of the finite correlation time and the system-bath coupling strength are studied for a harmonic model system by numerically integrating the equation of motion. The one-time correlation function of the system coordinate, which is measured in conventional Raman and infrared absorption experiments, already reflects the inhomogeneous character of the relaxation process. The finite correlation time of the frequency fluctuations, however, is directly evident only in the two- and three-time correlation function as probed by multidimensional spectroscopic techniques such as the Raman echo and the fifth-order 2D Raman experiment.
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.