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Journal of Physics A Mathematical and Theoretical

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

W. T. Coffey, Yuri P. Kalmykov, С. В. Титов, B P Mulligan

Published Sep 25, 2007• 1 citation
Publisher

Abstract

We reply to Tsekov's comments (2007 J. Phys. A: Math. Theor. 40 10945) concerning the semiclassical quantum master equation.
DOI
10.1088/1751-8113/40/41/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.
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.
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.