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CRC Press eBooks

Quantum Langevin Equations

Sushanta Dattagupta

Published Nov 12, 2013• 0 citations
Publisher

Abstract

The process of diffusion constitutes the dissipative motion of a classical particle or group of particles subjected to many-body interactions with their surroundings. When the surroundings consist of an infinitely large system that can rapidly recover from any deviation from thermal equilibrium such that its temperature remains roughly uniform, the system qualifies as a heat bath. Further, when the degrees of freedom of the heat bath are integrated out because of the implied timescale separation, the dynamics of the subsystem appear dissipative, characterized by parameters such as friction coefficient, diffusion constant, and others.

DOI
10.1201/b16008-16

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The process of diffusion constitutes the dissipative motion of a classical particle or group of particles subjected to many-body interactions with their surroundings. When the surroundings consist of an infinitely large system that can rapidly recover from any deviation from thermal equilibrium such that its temperature remains roughly uniform, the system qualifies as a heat bath. Further, when the degrees of freedom of the heat bath are integrated out because of the implied timescale separation, the dynamics of the subsystem appear dissipative, characterized by parameters such as friction coefficient, diffusion constant, and others.
Quantum diffusion equations featuring explicitly time-dependent transport coefficients are derived from generalized non-Markovian Langevin equations. Generalized fluctuation-dissipation relations and analytic expressions for calculating the friction and diffusion coefficients in nuclear processes are obtained. The asymptotic behavior of the transport coefficients and correlation functions for a damped harmonic oscillator that is linearly coupled in momentum to a heat bath is studied. The coupling to a heat bath in momentum is responsible for the appearance of the diffusion coefficient in coordinate. The problem of regression of correlations in quantum dissipative systems is analyzed.
We treat the quantum transport of an interacting system of electrons, impurities and phonons. The dynamic system is in a time-dependent electric field. We analyzed quantum transport process by using the quantum generalized Langevin equation, in which the system is shown to be equivalent to a quantum particle in a heat bath. After eliminating the heat-bath variables, the equation of motion for the quantum particle is written in a form of quantum generalized Langevin equation, with a memory term which reflects the retarded effects of the heat bath on the quantum particle.
The Brownian motion of a particle coupled to a heat bath can be derived from an exactly solvable many-body system. This motion is governed by the Langevin equation in Newtonian mechanics, and by an operator equation formally identical to the Langevin equation when the system composed of the particle plus the heat bath is quantized. To get this formal similarity between the classical and the quantal equations of motion of the particle, the classical dissipative system is formulated in terms of a modified Hamilton–Jacobi equation and is then quantized using the Schrödinger method. The result is identical with the Schrödinger–Langevin equation that has been obtained by quantizing the entire system and then isolating the motion of the particle. The non-linear wave equation describing the motion of a particle subject to conservative and time-dependent forces as well as frictional forces has been applied to the problems of motion of a wave-packet, and of the scattering and trapping of heavy-ions.
The generalized Langevin equation and its attendant fluctuation–dissipation relation (FDR) for both classical and quantum systems is explictly derived for a large class of system-bath interaction potentials. We demonstrate for this class of potentials that the classical FDR involving only the temperature of the bath is satisfied, and that in general the decay times of the dissipative processes and of the system are temperature dependent. We also demonstrate that the quantum FDR depends in detail on the nature of the bath and on the specific system-bath interaction. Thus we conclude that while the classical Langevin equation is phenomenologically useful, its quantum counterpart is much more limited.
The classical work by Zwanzig [J. Stat. Phys. 9 (1973) 215-220] derived Langevin dynamics from a Hamiltonian system of a heavy particle coupled to a heat bath. This work extends Zwanzig's model to a quantum system and formulates a more general coupling between a particle system and a heat bath. The main result proves, for a particular heat bath model, that ab initio Langevin molecular dynamics, with a certain rank one friction matrix determined by the coupling, approximates for any temperature canonical quantum observables, based on the system coordinates, more accurately than any Hamiltonian system in these coordinates, for large mass ratio between the system and the heat bath nuclei.