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arXiv:1505.00320 · Journal of Physics A Mathematical and Theoretical

Comment on ‘Semiclassical Klein–Kramers and Smoluchowski equations for the Brownian motion of a particle in an external potential’

Roumen Tsekov

Published Aug 14, 2007• 19 citations
arXivHTMLPDF

Abstract

The range of validity of the semiclassical Smoluchowski equation derived recently by Coffey et al is discussed. The analysis is based on the quantum Smoluchowski equation derived by the present author before. A quantum generalization of the Einstein law of Brownian motion is also obtained.
DOI
10.1088/1751-8113/40/35/n01

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In this thesis, the recent semiclassical approach to quantum Brownian motion of Coffey et\nal. [Phys. Chem. Chem. Phys. 9, 3361 (2007)] is studied in detail. This approach is based\non a semiclassical extension of Wigner's method of obtaining corrections to the classical\nequilibrium Maxwell-Boltzmann distribution, yielding a master equation for the reduced\nWigner function in quasi-phase space valid in the weak coupling and high temperature\nlimits. In the non-inertial or high damping limit, this master equation reduces to a quantum\nSmoluchowksi equation (QSE), where the drift coefficient remains as in the classical case,\nwhile the diffusion coefficient is altered to include the quantum parameter and derivatives\nof the potential.

•Jan 1, 2010•1 citation
The quantum Brownian motion of a particle in an external potential V(x) is treated using the master equation for the Wigner distribution function W(x, p, t) in phase space (x, p). A heuristic method of determination of diffusion coefficients in the master equation is proposed. The time evolution equation so obtained contains explicit quantum correction terms up to o(4) and in the classical limit, → 0, reduces to the Klein–Kramers equation. For a quantum oscillator, the method yields an evolution equation for W(x, p, t) coinciding with that of Agarwal (1971 Phys. Rev. A 4 739). In the non-inertial regime, by applying the Brinkman expansion of the momentum distribution in Weber functions (Brinkman 1956 Physica 22 29), the corresponding semiclassical Smoluchowski equation is derived.
We generalize the classical theory of Brownian motion so as to reckon with non-Markovian effects on both Klein-Kramers and Smoluchowski equations. For a free particle and a harmonic oscillator, it is shown that such non-Markovian effects account for the differentiability of the Brownian trajectories as well as the breakdown of the energy equipartition of statistical mechanics at short times in some physical situations. This non-Markovian approach is also extended to look at anomalous diffusion. Next, we bring in the dynamical-quantization method for investigating open quantum systems, which does consist in quantizing the classical Brownian motion starting directly from our non-Markovian Klein-Kramers and Smoluchowski equations, without alluding to any model Hamiltonian. Accordingly, quantizing our non-Markovian Klein-Kramers in phase space gives rise to a non-Markovian quantum master equation in configuration space, whereas quantizing our non-Markovian Smoluchowski equation in configuration space leads to a non-Markovian quantum Smoluchowski equation in phase space. In addition, it is worth noticing that non-Markovian quantum Brownian motion takes place in presence of a generic environment (e.g. a non-thermal quantum fluid). As far as the special case of a heat bath comprising of quantum harmonic oscillators is concerned, a non-Markovian Caldeira-Leggett master equation and a thermal quantum Smoluchowski equation are derived and extended to bosonic and fermionic heat baths valid for all temperatures.
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.
Einstein's Brownian motion of a quantum particle in a classical environment is studied via virial and equipartition theorems. The effect of continuous measurement in a strongly dissipative environment is accounted for and a quantum generalization of the classical Einstein law of Brownian motion is obtained. A thermo-quantum Smoluchowski diffusion equation is derived via a generalization of the Madelung quantum hydrodynamics. The latter is applied for description of the quantum tunneling at equilibrium and stationary states as well as of the motion of an electron in metals, i.e. the Smoluchowski-Poisson problem.
In this thesis, the recent semiclassical approach to quantum Brownian motion of Coffey et\nal. [Phys. Chem. Chem. Phys. 9, 3361 (2007)] is studied in detail. This approach is based\non a semiclassical extension of Wigner's method of obtaining corrections to the classical\nequilibrium Maxwell-Boltzmann distribution, yielding a master equation for the reduced\nWigner function in quasi-phase space valid in the weak coupling and high temperature\nlimits. In the non-inertial or high damping limit, this master equation reduces to a quantum\nSmoluchowksi equation (QSE), where the drift coefficient remains as in the classical case,\nwhile the diffusion coefficient is altered to include the quantum parameter and derivatives\nof the potential.