Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

Thermo-Quantum Diffusion in Periodic Potentials

Roumen Tsekov

Published Jan 1, 2011• 0 citations
Publisher

Abstract

Quantum Brownian motion in a periodic cosine potential is studied and a simple estimate of the tunneling effect is obtained in the frames of a semiclassical quasi-equilibrium approach. It is shown that the latter is applicable for heavy particles but electrons cannot be described properly since the quantum effects dominate over the thermal ones. The electron purely quantum diffusion is investigated at zero temperature and demonstrates that electrons do not obey the classical Einstein law of Brownian motion in the fi eld of periodic potentials, since the dispersion of the Gaussian wave packet increases logarithmically in time. Diffusion in the fi eld of periodic potentials is important for particle transport via ordered structures, typical in condensed matter. The underlying mechanism is Brownian motion. If the diffusing particles are quantum ones, e.g. electrons, protons, light atoms, etc., their migration is described via the theory of quantum Brownian motion [1, 2], which is signifi cantly affected by the tunneling effect [3]. Hereafter an alternative approach to the problem of quantum Brownian motion in periodic potentials is developed based on the Bohm quantum potential [4]. In contrast to the WKB theory valid in vacuum the present paper describes tunneling in a dissipative environment. The starting point is a nonlinear quantum Smoluchowski-like equation [5, 6] 0 [ ( ) ] / t x x b x V Q d b β ∂ ρ = ∂ ρ∂ + β + ∂ ρ β ∫ (1)

DOI
10.13140/rg.2.1.4253.6485

Related papers

Quantum Einstein's Brownian Motion

Roumen Tsekov

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.

arXiv:1001.3093•Jan 18, 2010•1 citation

Quantum diffusion

Roumen Tsekov

Quantum diffusion (QD) is studied via dissipative Madelung hydrodynamics. Initially, the wave packet spreads ballistically, then passes for an instant through normal diffusion and later tends asymptotically to a sub-diffusive law. It is shown that the apparent QD coefficient is not a universal physical parameter because it depends on the initial wave packet preparation. The overdamped QD of an electron in the field of a periodic potential is also investigated; in this case, the wave packet spreads logarithmically in time. Thermo-QD of heavier particles such as hydrogen, deuterium and tritium atoms in periodic potentials is studied and a simple estimate of the tunneling effect is obtained in the framework of a quasi-equilibrium semiclassical approach. The effective thermo-quantum temperature is also discussed in relation to the known temperature dependence of muon diffusivity in solids.

arXiv:1001.1071•Physica Scripta•Feb 16, 2011•18 citations

Smoluchowski equation approach for quantum Brownian motion in a tilted periodic potential

William T. Coffey, Yuri P. Kalmykov, С. В. Титов +1 more

Quantum corrections to the noninertial Brownian motion of a particle in a one-dimensional tilted cosine periodic potential are treated in the high-temperature and weak bath-particle coupling limit by solving a quantum Smoluchowski equation for the time evolution of the distribution function in configuration space. The theoretical predictions from two different forms of the quantum Smoluchowski equation already proposed-viz., J. Ankerhold [Phys. Rev. Lett. 87, 086802 (2001)] and W. T. Coffey [J. Phys. A 40, F91 (2007)]-are compared in detail in a particular application to the dynamics of a point Josephson junction. Various characteristics (stationary distribution, current-voltage characteristics, mean first passage time, linear ac response) are evaluated via continued fractions and finite integral representations in the manner customarily used for the classical Smoluchowski equation. The deviations from the classical behavior, discernible in the dc current-voltage characteristics as enhanced current for a given voltage and in the resonant peak in the impedance curve as an enhancement of the Q factor, are, respectively, a manifestation of relatively high-temperature nondissipative tunneling (reducing the barrier height) and dissipative tunneling (reducing the damping of the Josephson oscillations) near the top of a barrier.

Physical Review E•Sep 10, 2008•45 citations

Wigner function approach to the quantum Brownian motion of a particle in a potential

W. T. Coffey, Yuri P. Kalmykov, С. В. Титов +1 more

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.

Physical Chemistry Chemical Physics•Jan 1, 2007•59 citations

Classical and Quantum Brownian Motion

Roumen Tsekov

In the frames of classical mechanics the generalized Langevin equation is derived for an arbitrary mechanical subsystem coupled to the harmonic bath of a solid. A time-acting temperature operator is introduced for the quantum Klein-Kramers and Smoluchowski equations, accounting for the effect of the quantum thermal bath oscillators. The model of Brownian emitters is theoretically studied and the relevant evolutionary equations for the probability density are derived. The Schrodinger equation is explained via collisions of the target point particles with the quantum force carriers, transmitting the fundamental interactions between the point particles. Thus, electrons and other point particles are no waves and the wavy chapter of quantum mechanics originated for the force carriers. A stochastic Lorentz-Langevin equation is proposed to describe the underlaying Brownian-like motion of the point particles in quantum mechanics. Considering the Brownian dynamics in the frames of the Bohmian mechanics, the density functional Bohm-Langevin equation is proposed, and the relevant Smoluchowski-Bohm equation is derived. A nonlinear master equation is proposed by proper quantization of the classical Klein-Kramers equation. Its equilibrium solution in the exact canonical Gibbs density operator, while the well-known Caldeira-Leggett equation is simply a linearization at high temperature. In the case of a free quantum Brownian particles, a new law for the spreading of the wave packet it discovered, which represents the quantum generalization of the classical Einstein law of Brownian motion. A new projector operator is proposed for the collapse of the wave function of a quantum particle moving in a classical environment. Its application results in dissipative Schrodinger equations, as well as in a new form of dissipative Liouville equation in classical mechanics.

arXiv:2105.05646•Jan 1, 2021•2 citations

Non-Markovian quantum Brownian motion: a non-Hamiltonian approach

A. O. Bolivar

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.

arXiv:1503.07951•Mar 27, 2015•1 citation
Quantum Brownian motion in a periodic cosine potential is studied and a simple estimate of the tunneling effect is obtained in the frames of a semiclassical quasi-equilibrium approach. It is shown that the latter is applicable for heavy particles but electrons cannot be described properly since the quantum effects dominate over the thermal ones. The electron purely quantum diffusion is investigated at zero temperature and demonstrates that electrons do not obey the classical Einstein law of Brownian motion in the fi eld of periodic potentials, since the dispersion of the Gaussian wave packet increases logarithmically in time. Diffusion in the fi eld of periodic potentials is important for particle transport via ordered structures, typical in condensed matter. The underlying mechanism is Brownian motion. If the diffusing particles are quantum ones, e.g. electrons, protons, light atoms, etc., their migration is described via the theory of quantum Brownian motion [1, 2], which is signifi cantly affected by the tunneling effect [3]. Hereafter an alternative approach to the problem of quantum Brownian motion in periodic potentials is developed based on the Bohm quantum potential [4]. In contrast to the WKB theory valid in vacuum the present paper describes tunneling in a dissipative environment. The starting point is a nonlinear quantum Smoluchowski-like equation [5, 6] 0 [ ( ) ] / t x x b x V Q d b β ∂ ρ = ∂ ρ∂ + β + ∂ ρ β ∫ (1)
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.
Quantum diffusion (QD) is studied via dissipative Madelung hydrodynamics. Initially, the wave packet spreads ballistically, then passes for an instant through normal diffusion and later tends asymptotically to a sub-diffusive law. It is shown that the apparent QD coefficient is not a universal physical parameter because it depends on the initial wave packet preparation. The overdamped QD of an electron in the field of a periodic potential is also investigated; in this case, the wave packet spreads logarithmically in time. Thermo-QD of heavier particles such as hydrogen, deuterium and tritium atoms in periodic potentials is studied and a simple estimate of the tunneling effect is obtained in the framework of a quasi-equilibrium semiclassical approach. The effective thermo-quantum temperature is also discussed in relation to the known temperature dependence of muon diffusivity in solids.
Quantum corrections to the noninertial Brownian motion of a particle in a one-dimensional tilted cosine periodic potential are treated in the high-temperature and weak bath-particle coupling limit by solving a quantum Smoluchowski equation for the time evolution of the distribution function in configuration space. The theoretical predictions from two different forms of the quantum Smoluchowski equation already proposed-viz., J. Ankerhold [Phys. Rev. Lett. 87, 086802 (2001)] and W. T. Coffey [J. Phys. A 40, F91 (2007)]-are compared in detail in a particular application to the dynamics of a point Josephson junction. Various characteristics (stationary distribution, current-voltage characteristics, mean first passage time, linear ac response) are evaluated via continued fractions and finite integral representations in the manner customarily used for the classical Smoluchowski equation. The deviations from the classical behavior, discernible in the dc current-voltage characteristics as enhanced current for a given voltage and in the resonant peak in the impedance curve as an enhancement of the Q factor, are, respectively, a manifestation of relatively high-temperature nondissipative tunneling (reducing the barrier height) and dissipative tunneling (reducing the damping of the Josephson oscillations) near the top of a barrier.
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 the frames of classical mechanics the generalized Langevin equation is derived for an arbitrary mechanical subsystem coupled to the harmonic bath of a solid. A time-acting temperature operator is introduced for the quantum Klein-Kramers and Smoluchowski equations, accounting for the effect of the quantum thermal bath oscillators. The model of Brownian emitters is theoretically studied and the relevant evolutionary equations for the probability density are derived. The Schrodinger equation is explained via collisions of the target point particles with the quantum force carriers, transmitting the fundamental interactions between the point particles. Thus, electrons and other point particles are no waves and the wavy chapter of quantum mechanics originated for the force carriers. A stochastic Lorentz-Langevin equation is proposed to describe the underlaying Brownian-like motion of the point particles in quantum mechanics. Considering the Brownian dynamics in the frames of the Bohmian mechanics, the density functional Bohm-Langevin equation is proposed, and the relevant Smoluchowski-Bohm equation is derived. A nonlinear master equation is proposed by proper quantization of the classical Klein-Kramers equation. Its equilibrium solution in the exact canonical Gibbs density operator, while the well-known Caldeira-Leggett equation is simply a linearization at high temperature. In the case of a free quantum Brownian particles, a new law for the spreading of the wave packet it discovered, which represents the quantum generalization of the classical Einstein law of Brownian motion. A new projector operator is proposed for the collapse of the wave function of a quantum particle moving in a classical environment. Its application results in dissipative Schrodinger equations, as well as in a new form of dissipative Liouville equation in classical mechanics.
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.