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AIP conference proceedings

Quantum Wave Packet Dynamics: Langevin Equations for Hamiltonian Systems Imbedded into a Heat Bath

W. Ebeling

Published Jan 1, 2002• 0 citations
Publisher

Abstract

In the last decade the relation beween classical and quantum statistics was carefully investigated. Here we study this problem by making use of a wave packet dynamics. We discuss temperature definitions, fluctuation‐dissipation theorems and Langevin equations. The theory is applied to oscillators and atomic electrons embedded into an infinite bath of oscillators.

DOI
10.1063/1.1523774

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In the last decade the relation beween classical and quantum statistics was carefully investigated. Here we study this problem by making use of a wave packet dynamics. We discuss temperature definitions, fluctuation‐dissipation theorems and Langevin equations. The theory is applied to oscillators and atomic electrons embedded into an infinite bath of oscillators.
Abstract This review provides a brief and quick introduction to the quantum Langevin equation for an oscillator, while focusing on the steady-state thermodynamic aspects. A derivation of the quantum Langevin equation is carefully outlined based on the microscopic model of the heat bath as a collection of a large number of independent quantum oscillators, the so-called independent-oscillator model. This is followed by a discussion on the relevant ‘weak-coupling’ limit. In the steady state, we analyze the quantum counterpart of energy equipartition theorem which has generated a considerable amount of interest in recent literature. The free energy, entropy, specific heat, and third law of thermodynamics are discussed for one-dimensional quantum Brownian motion in a harmonic well. Following this, we explore some aspects of dissipative diamagnetism in the context of quantum Brownian oscillators, emphasizing upon the role of confining potentials and also upon the environment-induced classical-quantum crossover. We discuss situations where the system-bath coupling is via the momentum variables by focusing on a gauge-invariant model of momentum-momentum coupling in the presence of a vector potential; for this problem, we derive the quantum Langevin equation and discuss quantum thermodynamic functions. Finally, the topic of fluctuation theorems is discussed (albeit, briefly) in the context of classical and quantum cyclotron motion of a particle coupled to a heat bath.
A wide variety of dissipative and fluctuation problems involving a quantum system in a heat bath can be described by the independent-oscillator (IO) model Hamiltonian. Using Heisenberg equations of motion, this leads to a generalized quantum Langevin equation (QLE) for the quantum system involving two quantities which encapsulate the properties of the heat bath. Applications include: atomic energy shifts in a blackbody radiation heat bath; solution of the problem of runaway solutions in QED; electrical circuits (resistively shunted Josephson barrier, microscopic tunnel junction, etc.); conductivity calculations (since the QLE gives a natural separation between dissipative and fluctuation forces); dissipative quantum tunneling; noise effects in gravitational wave detectors; anomalous diffusion; strongly driven quantum systems; decoherence phenomena; analysis of Unruh radiation and entropy for a dissipative system.
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.
Previous years researchers began to simulate open quantum system, taking into account the interaction between system and the environment. One approach to deal with this problem is to use the density matrix within the Liouville-von-Neumann formalism or the Markovian variant the Lindblad equations. Another way is to use a stochastic approach where a random force is added to the system. The benefit of the stochastic approach is to solve the dynamics of the system with less time and memory than the density matrix approaches. In this project we want to develop a stochastic approach that can deal with the stochastic wave functions approach. We did this on a 2-level system and found that it works well when comparing to a density matrix approach. Next, we tested a quantum particle connect to a bath of harmonic oscillators using the stochastic approach. We found that a friction term is necessary and applied it. Like in the classical Langevin equations the friction constant and the random force fluctuations are related by the fluctuation-dissipation constant. We showed that with friction the dynamics decays to an ensemble with energy of Egs+kBTE_{gs}+k_BTEgs​+kB​T. However, we also found here are problems. The system seems to absorb energy indefinitely if the temperature is higher than the zero point energy or if the system is a Morse oscillator. Thus more research is required to make this method work.
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.