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Physical Review A

Statistical mechanics of a nonlinear relaxation process: Equilibrium properties

Luca Bonci, Paolo Grigolini A, R. Mannella, G. Trefán, David Vitali

Published Mar 1, 1991• 6 citations
Publisher

Abstract

We have studied a spin-1/2 system interacting with a classical stochastic oscillator in the overdamped regime, simulating a thermal bath. Our aim is to understand the influence of the reaction field, i.e., the effect of the dipole on its bath, which is usually neglected in the current treatments. We have faced the problem of the role of this reaction field with the help of computer simulation. We found that the trajectories of the dipole x component exhibit behaviors suggesting that, in some range of the parameters of the system, the model should have a bistable character. Moreover, the average equilibrium value of the dipole along the z axis shows a significant deviation from the ``weak-coupling predictions'' of either classical or quantum statistical mechanics. We have explained all these properties via a renormalization procedure which, in the strong-coupling regime, makes the Hamiltonian of interest very different from the bare Hamiltonian. Among other things, this renormalized Hamiltonian leads to a bimodal distribution for the energy, in excellent agreement with the numerical simulations.

DOI
10.1103/physreva.43.2624

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We have studied a spin-1/2 system interacting with a classical stochastic oscillator in the overdamped regime, simulating a thermal bath. Our aim is to understand the influence of the reaction field, i.e., the effect of the dipole on its bath, which is usually neglected in the current treatments. We have faced the problem of the role of this reaction field with the help of computer simulation. We found that the trajectories of the dipole x component exhibit behaviors suggesting that, in some range of the parameters of the system, the model should have a bistable character. Moreover, the average equilibrium value of the dipole along the z axis shows a significant deviation from the ``weak-coupling predictions'' of either classical or quantum statistical mechanics. We have explained all these properties via a renormalization procedure which, in the strong-coupling regime, makes the Hamiltonian of interest very different from the bare Hamiltonian. Among other things, this renormalized Hamiltonian leads to a bimodal distribution for the energy, in excellent agreement with the numerical simulations.
We study a two-level system linearly interacting with a set of quantum-mechanical oscillators, referred to as the ``bath.'' This system is formally equivalent to a magnetic dipole, with spin 1/2, precessing with the Larmor frequency ${\mathrm{\ensuremath{\omega}}}_{0}$ around a fixed magnetic field along the z axis and undergoing the influence of a fluctuating field along the x axis. These bath fluctuations are not independent of the state of the spin, and the crucial problem to be studied in this paper is precisely how to take the reaction field, i.e., the influence of the bath on the system, into account. We find a general result based on neglecting a contribution to the reaction field proportional to ${\mathrm{\ensuremath{\sigma}}}_{\mathit{x}}$(t)-〈${\mathrm{\ensuremath{\sigma}}}_{\mathit{x}}$(t)〉, where the angle brackets denote averaging on both the spin and the bath space, with a density matrix corresponding to the spin polarized along the x axis. We show that under the special condition that the spin does not significantly depart from its initial state, our general result turns out to coincide with the noninteracting-blip approximation (NBA) of Leggett and co-workers [Rev. Mod. Phys. 59, 1 (1987)]. When we make the assumption that both quantum and thermal fluctuations of the bath can be neglected and that the time scale of the bath is virtually zero (adiabatic assumption), our general result turns out to coincide with the prediction of the discrete nonlinear Schr\"odinger equation (DNSE) of Davydov and Kislukha [Phys. Status Solidi B 59, 465 (1973)] and Davydov $[---Biology and Quantum Mechanics (Pergamon, Oxford, 1982)] in the two-sites case.This means that the nonlinear effects proven by Kenkre and co-workers [Phys. Rev. B 34, 4959 (1986); 35, 1473 (1987)] to accompany a significant departure of the spin from the initial state are lost by the NBA. On the other hand, our approach provides a rigorous evaluation of the effects of the oscillator fluctuations on the predictions of the DNSE. It is shown that the quantum fluctuations might have a significant role also in the region of high temperature to which the nonadiabatic corrections of Kenkre and co-workers apply. Finally, it is shown that a still more accurate approximation would be that of neglecting a reaction field proportional to ${\mathrm{\ensuremath{\sigma}}}_{\mathit{x}}$(t)-〈${\mathrm{\ensuremath{\sigma}}}_{\mathit{x}}$(t)〉s{\mathrm{〉}}_{\mathit{s}}〉s​, where 〈${\mathrm{\ensuremath{\sigma}}}_{\mathit{x}}$(t)〉s{\mathrm{〉}}_{\mathit{s}}〉s​ denotes an average carried out only on the spin space. This approximation leads our approach to coincide with the exact result in the special case where both the spin and its bath are replaced by their classical counterparts. Under this approximation, the detrapping would be equivalent to an Arrhenius-like thermal-activation process. When the coupling strength between the system and its bath is decreased, the spin is expected to depart from the initial trapped state. The dynamics of this process is expected to be influenced by the joint action of the bath fluctuations (both thermal and quantum mechanical) and of the nonlinearity stemming from the reaction field, and ignored by the NBA. This intriguing problem should be the subject of further investigations.
We study the dynamics of relaxation and thermalization in an exactly solvable model of a particle interacting with a harmonic oscillator bath. Our goal is to understand the effects of non-Markovian processes on the relaxational dynamics and to compare the exact evolution of the distribution function with approximate Markovian and non-Markovian quantum kinetics. There are two different cases that are studied in detail: (i) a quasiparticle (resonance) when the renormalized frequency of the particle is above the frequency threshold of the bath and (ii) a stable renormalized "particle" state below this threshold. The time evolution of the occupation number for the particle is evaluated exactly using different approaches that yield to complementary insights. The exact solution allows us to investigate the concept of the formation time of a quasiparticle and to study the difference between the relaxation of the distribution of bare particles and that of quasiparticles. For the case of quasiparticles, the exact occupation number asymptotically tends to a statistical equilibrium distribution that differs from a simple Bose-Einstein form as a result of off-shell processes whereas in the stable particle case, the distribution of particles does not thermalize with the bath. We derive a non-Markovian quantum kinetic equation which resums the perturbative series and includes off-shell effects. A Markovian approximation that includes off-shell contributions and the usual Boltzmann equation (energy conserving) are obtained from the quantum kinetic equation in the limit of wide separation of time scales upon different coarse-graining assumptions. The relaxational dynamics predicted by the non-Markovian, Markovian, and Boltzmann approximations are compared to the exact result. The Boltzmann approach is seen to fail in the case of wide resonances and when threshold and renormalization effects are important.
A quantum system weakly interacting with a fast environment usually undergoes a relaxation with complex frequencies whose imaginary parts are damping rates quadratic in the coupling to the environment in accord with Fermi's ``golden rule.'' We show for various models (spin damped by harmonic-oscillator or random-matrix baths, quantum diffusion, and quantum Brownian motion) that upon increasing the coupling up to a critical value still small enough to allow for weak-coupling Markovian master equations, a different relaxation regime can occur. In that regime, complex frequencies lose their real parts such that the process becomes overdamped. Our results call into question the standard belief that overdamping is exclusively a strong coupling feature.
Classical Brownian motion has well been investigated since the pioneering work of Einstein, which inspired mathematicians to lay the theoretical foundation of stochastic processes. A stochastic formulation for quantum dynamics of dissipative systems described by the system-plus-bath model has been developed and found many applications in chemical dynamics, spectroscopy, quantum transport, and other fields. This article provides a tutorial review of the stochastic formulation for quantum dissipative dynamics. The key idea is to decouple the interaction between the system and the bath by virtue of the Hubbard-Stratonovich transformation or Itô calculus so that the system and the bath are not directly entangled during evolution, rather they are correlated due to the complex white noises introduced. The influence of the bath on the system is thereby defined by an induced stochastic field, which leads to the stochastic Liouville equation for the system. The exact reduced density matrix can be calculated as the stochastic average in the presence of bath-induced fields. In general, the plain implementation of the stochastic formulation is only useful for short-time dynamics, but not efficient for long-time dynamics as the statistical errors go very fast. For linear and other specific systems, the stochastic Liouville equation is a good starting point to derive the master equation. For general systems with decomposable bath-induced processes, the hierarchical approach in the form of a set of deterministic equations of motion is derived based on the stochastic formulation and provides an effective means for simulating the dissipative dynamics. A combination of the stochastic simulation and the hierarchical approach is suggested to solve the zero-temperature dynamics of the spin-boson model. This scheme correctly describes the coherent-incoherent transition (Toulouse limit) at moderate dissipation and predicts a rate dynamics in the overdamped regime. Challenging problems such as the dynamical description of quantum phase transition (local- ization) and the numerical stability of the trace-conserving, nonlinear stochastic Liouville equation are outlined.
We study a two-state quantum-mechanical system, equivalent to a 1/2-spin dipole, with frequency ${\mathrm{\ensuremath{\omega}}}_{0}$, linearly interacting with a set of quantum oscillators. The corresponding discrete nonlinear Schr\"odinger equation (DNSE) has been given an analytical solution by Kenkre and Campbell [Phys. Rev. B 34, 4959 (1986)]. We show that in the strong-coupling limit their analytical expression is recovered from our microscopic approach when the thermal and quantum fluctuations of the bath of oscillators are neglected. To take into account the influence of thermal and quantum fluctuations on the prediction of the DNSE in the strong-coupling limit, we adopt a straightforward procedure based on the direct evaluation of 〈${\mathrm{\ensuremath{\sigma}}}_{\mathit{x}}$(t)〉, under the assumption alone that the frequency ${\mathrm{\ensuremath{\omega}}}_{0}$ is very weak. A special initial condition is used, with 〈${\mathrm{\ensuremath{\sigma}}}_{\mathit{x}}$(t)〉=1 and the oscillator at equilibrium in the corresponding effective potential. It is shown that in the strong-coupling limit this expression coincides with the noninteracting-blip approximation of Leggett et al. [Rev. Mod. Phys. 59, 1 (1987)] and the result of the equivalent projection approach of Aslangul, Pottier, and Saint-James [J. Phys. (Paris) 46, 2031 (1985); 47, 1657 (1986)]. Then, this expression is used to study the special case where the 1/2 spin interacts with only one oscillator at zero temperature. It is shown that the fast oscillations predicted by Kenkre and Campbell in the strong-coupling limit are damped by a Gaussian-like relaxation process provoked by the quantum fluctuations of the oscillator, which eventually lead to the destruction of the trapped state. These collapses are followed by periodical revivals reminiscent of those observed in quantum optics.
An understanding of strongly coupled open quantum systems is crucial for the realisation of many of today’s emerging quantum technologies. However, actually simulating a quantum system that strongly interacts, or couples, with its environment is no easy task. This thesis tackles a number of topics in the field of strongly coupled open quantum systems. Given the computational challenges of solving the full open system dynamics, we first discuss how and why a quasiclassical stochastic approach can be used to simulate the dynamics of a quantum harmonic oscillator that is strongly coupled to its environment. We build upon the established analytical agreement by implementing the quasiclassical stochastic case numerically in the SpiDy.jl Julia package. Motivated by the applications to magnetic modelling, we then solve the full open quantum systems model for a single spin coupled arbitrarily strongly to multiple heat baths. In doing so, we find that the presence of multiple baths can actually increase the system-environment entanglement in the steady state. We also compare this to a fully classical approach and find that, for isotropic environmental coupling, the environment-induced effects in the equilibrium state only appear quantum mechanically. Finally, we couple these two topics together by considering the quasiclassical stochastic simulation of a single quantum spin, helping to understand the regimes of validity beyond the linear harmonic oscillator. This is with the larger aim to eventually be able to encode quantum effects into more realistic systems, such as those that describe magnetic materials.