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arXiv:2502.05079 · Physica Scripta

Dirac’s variational approach to semiclassical Kramers problem in Smoluchowski limit

Choon-Lin Ho

Published Jul 1, 2025• 0 citations
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Abstract

Abstract Kramers escape from a metastable state in the presence of both thermal and quantum fluctuations under strong damping is treated as a thermally activated process in a quantum modified semiclassical potential. Dirac’s time-dependent variational method together with the Jackiw-Kerman function is employed to derive the semiclassical potential. Quantum correction is incorporated in the drift potential, and is determined by quasi-stationary conditions and minimal uncertainty relation. The semiclassical rate obtained here is consistent in form with those from the quantum Smoluchowski equations deduced heuristically by modifying the diffusion coefficient using the path-integral method. Unlike approaches using the path-integral, which involves continuation into imaginary time, the approach here is simpler and more easily understood in terms of classical picture.

DOI
10.1088/1402-4896/adebbb

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Abstract Kramers escape from a metastable state in the presence of both thermal and quantum fluctuations under strong damping is treated as a thermally activated process in a quantum modified semiclassical potential. Dirac’s time-dependent variational method together with the Jackiw-Kerman function is employed to derive the semiclassical potential. Quantum correction is incorporated in the drift potential, and is determined by quasi-stationary conditions and minimal uncertainty relation. The semiclassical rate obtained here is consistent in form with those from the quantum Smoluchowski equations deduced heuristically by modifying the diffusion coefficient using the path-integral method. Unlike approaches using the path-integral, which involves continuation into imaginary time, the approach here is simpler and more easily understood in terms of classical picture.
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.
The strong-friction regime at low temperatures is analyzed systematically starting from the formally exact path-integral expression for the reduced dynamics. This quantum Smoluchowski regime allows for a type of semiclassical treatment in the inverse friction strength so that higher-order quantum corrections to the original quantum Smoluchowski equation [J. Ankerhold, P. Pechukas, and H. Grabert, Phys. Rev. Lett. 87, 086802 (2001); J. Ankerhold and H. Grabert, Phys. Rev. Lett. 101, 119903 (2008)] can be derived. Drift and diffusion coefficients are determined by the equilibrium distribution in position and are directly related to the corresponding action of extremal paths and fluctuations around them. It is shown that the inclusion of higher-order corrections reproduces the quantum enhancement above crossover for the decay rate out of a metastable well exactly.
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.
Based on the dynamical quantization method we derive a quantum phase-space non-Markovian Smoluchowski equation describing the non-inertial Brownian motion of a harmonic oscillator immersed in a generic environment. In the long-time regime we investigate the tunneling phenomenon by evaluating the quantum Kramers escape rate of a Brownian particle over a potential barrier. As far as a quantum thermal reservoir is concerned, it is found that our steady quantum Kramers rate may depend upon no friction constant in the strong friction domain. This preposterous feature may suggest the existence of non-dissipative quantum tunneling at the low-temperature range, including the zero temperature case. Lastly, we predict that our quantum escape rate non-exponentially decays on the edge of the breakdown of the dissipation-fluctuation relation.