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arXiv:2404.15568 · Physical review. E

Dynamics of a small quantum system open to a bath with thermostat

Chulan Kwon, Ju-Yeon Gyhm

Published Oct 28, 2024• 1 citation
arXivHTMLPDF

Abstract

We investigate dynamics of a small quantum system open to a bath with thermostat. We introduce another bath, called a superbath, weakly coupled with the bath to provide it with a thermostat, which has either the Lindblad or Redfield type. We treat the interaction between the system and bath via a rigorous perturbation theory. Due to the thermostat, the bath behaves dissipative and stochastic, for which the usual Born-Markov assumption is not needed. We consider a specific example of a harmonic oscillator system of interest and a photonic bath in a large container, and a superbath of the Caldeira-Legget oscillators distributed on the inner surface of the container. After taking the trace over the superbath states, we use the P representation for the total harmonic system of the system and bath. We derive the reduced time-evolution equation for the system by explicitly finding the correlation between the system and bath beyond the product state that was not obtainable in the previous theory for the system and bath isolated from environment, and marginalizing bath degrees of freedom. Remarkably, the associated dynamic equation for the system density matrix is of the same form as the Redfield master equation with different coefficients depending on thermostat used. We find the steady state does not depend on the thermostat but the time-dependent state does, which agrees with common expectation. We expect to apply our theory to general systems. Unlike the usual quantum master equations, our reduced dynamics allows investigation for time-dependent protocols, and nonequilibrium quantum stochastic dynamics will be investigated in the future.

DOI
10.1103/physreve.110.044141

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We investigate dynamics of a small quantum system open to a bath with thermostat. We introduce another bath, called a superbath, weakly coupled with the bath to provide it with a thermostat, which has either the Lindblad or Redfield type. We treat the interaction between the system and bath via a rigorous perturbation theory. Due to the thermostat, the bath behaves dissipative and stochastic, for which the usual Born-Markov assumption is not needed. We consider a specific example of a harmonic oscillator system of interest and a photonic bath in a large container, and a superbath of the Caldeira-Legget oscillators distributed on the inner surface of the container. After taking the trace over the superbath states, we use the P representation for the total harmonic system of the system and bath. We derive the reduced time-evolution equation for the system by explicitly finding the correlation between the system and bath beyond the product state that was not obtainable in the previous theory for the system and bath isolated from environment, and marginalizing bath degrees of freedom. Remarkably, the associated dynamic equation for the system density matrix is of the same form as the Redfield master equation with different coefficients depending on thermostat used. We find the steady state does not depend on the thermostat but the time-dependent state does, which agrees with common expectation. We expect to apply our theory to general systems. Unlike the usual quantum master equations, our reduced dynamics allows investigation for time-dependent protocols, and nonequilibrium quantum stochastic dynamics will be investigated in the future.
The Lindblad theory of open quantum systems has been successfully applied in various fields ranging from quantum optics, condensed matter physics, and quantum thermodynamics to quantum chemistry. Nevertheless, there are situations where we can compare its predictions to those of exact methods or numerically exact results and find discrepancies between them. One example is the case where a single harmonic oscillator is coupled to a thermal bath of independent harmonic oscillators. In this case, for certain parameters, the exact master equation describes equilibration of the system to a thermal state with a temperature different from the one predicted by the Lindblad master equation. The Lindblad theory, based on a weak coupling between the system and environment as well as the Born-Markov approximation, predicts that the system will evolve to a thermal state whose temperature is equal to the initial temperature of the bath. This result is a consequence of the Born approximation, which supposes that throughout the evolution, the bath only fluctuates around its initial equilibrium state. In this master thesis we study the validity of the Born approximation as well as its consistency with other approximations. By starting from a Hamiltonian for the total system we show that, if the the Born approximation is not invoked, the dynamics of the system is determined by a hierarchy of equations for matrices which can be used to reconstruct the reduced density matrix of the system. This hierarchy approach is fundamentally different from the standard approach, which describes the system dynamics with a weak-coupling master equation, because the hierarchy does not restrict the amount of entanglement possible between the system and the environment. Furthermore, we show how invoking the Born approximation reduces to the usual result and how a generalised ansatz, which we refer to as a generalised Born approximation, reduces the hierarchy to a master equation where the bath temperature is an additional degree of freedom. Finally, we analyse the conservation of the energy of the total system and its relationship to the Markov and secular approximations, and discuss whether imposing it as a condition can fix the time-dependent temperature.
We consider the Lindblad-Kossakowski quantum master equation describing the dynamics of an open quantum systems in the form originally proposed by Davies and Spohn. This equation contains dissipative corrections, accounting for the interaction with the environment, whose expression strongly depends on the adopted Markov approximation. In the case where a control is present, the rigorous derivation of the Markov approximation in the standard case, the weak coupling limit, shows that the control appears not only in the coherent part of the equation but also in the dissipative correction. This complicates the analysis of the dynamics but also offers the opportunity of indirectly affecting the interaction with the environment through the control. In this paper we study this scenario for a finite dimensional quantum system interacting with a (Bosonic) bath of harmonic oscillators. We prove several control theoretic properties of this system and discuss how the control can be used to effectively shape the influence of the environment and obtain desired features of the dynamics.
For a slow open quantum subsystem weakly coupled to a fast thermal bath, we derive the general form of the slippage to be applied to the initial conditions of the Redfield master equation. This slippage is given by a superoperator which describes the non-Markovian dynamics of the subsystem during the short-time relaxation of the thermal bath. We verify in an example that the Redfield equation preserves positivity after the slippage superoperator has been applied to the initial density matrix of the subsystem. For δ-correlated baths, the Redfield master equation reduces to the Lindblad master equation and the slippage of initial conditions vanishes consistently.
We consider a model of environment-induced dissipationless decoherence of a quantum system where the system is coupled to the bath degrees of freedom via the system Hamiltonian itself. We solve exactly for the reduced density operator of the system for an arbitrary spectral density of the thermal bath and also write down an exact master equation in the Lindblad form. We compare and contrast the above results with those obtained by considering the system frequencies to be randomly modulated as in stochastic models. We observe that a coupling to the bath as above necessarily induces a Kerr-like coherent contribution in the reduced dynamics of the system. This Kerr-like term is a reflection of the quantum nature of the bath and cannot be obtained from stochastic models. For the special case of a harmonic oscillator we consider the influence of decoherence and its relation with phase diffusion. Our numerical results exhibit oscillations in the evolution of system variables which overall is a signature of the quantum nature of the environment.
We develop an exact quantum thermostat that generates the quantum Boltzmann distribution in path integral phase space and so correctly captures the imaginary position–momentum correlations. This extends beyond the capability of existing quantum thermostats such as the PILE thermostat, which can only achieve the marginal of this distribution in position, with the momentum acting purely as a sampling tool and satisfying classical Maxwell–Boltzmann statistics. The dynamics correspond to the treatment of the Caldeira–Leggett system–bath model with Matsubara dynamics, a theory for approximating nuclear quantum dynamics by propagating smooth imaginary-time Feynman paths in real time. A Matsubara generalised Langevin equation that obeys certain quantum fluctuation–dissipation relations is mapped onto a Markovian stochastic process by introducing auxiliary variables; this allows the construction of a corresponding Fokker–Planck equation from which the stationary distribution in the extended variable space is determined. We show that this corresponds to the joint quantum Boltzmann distribution in position and momentum, a finding that holds for any bath spectral density and for anharmonic systems. The sole approximation in Matsubara dynamics is the neglect of real-time quantum coherence; consequently, provided there is sufficient quantum decoherence, the dynamics of the exact quantum thermostat also well approximates the exact quantum dynamics of the system–bath. In the limit of infinite system–bath coupling, the level of real-time coherence becomes negligible and so the Matsubara dynamics of the thermostat tends to the exact dynamics. The quantum thermostat can therefore be used to study this limit exactly and, in so doing, we demonstrate the existence of a quantum mechanical overdamped regime analogous to its classical counterpart that is characterised by a Matsubara Smoluchowski equation. The drawback of the quantum thermostat is that one of its associated quantum fluctuation–dissipation relations is imaginary. This results in complex noise and dynamical instabilities that often preclude the numerical implementation of the thermostat. Instead, it primarily serves as a theoretical framework that can be used as a starting point for introducing approximations that yield more practical methods. One such approximation that results in real noise is considered here and leads to a practical approach for calculating linear time-correlation functions of bound open quantum systems. These exhibit good agreement with exact quantum mechanical calculations, particularly at strong system–bath coupling, where the real-time quantum coherence is increasingly suppressed.
We investigate how to model Markovian evolution of coupled harmonic oscillators, each of them interacting with a local environment. When the coupling between the oscillators is weak, dissipation may be modeled using local Lindblad terms for each of the oscillators in the master equation, as is commonly done. When the coupling between oscillators is strong, this model may become invalid. We derive a master equation for two coupled harmonic oscillators that are subject to individual heat baths modeled by a collection of harmonic oscillators and show that this master equation in general contains nonlocal Lindblad terms. We compare the resulting time evolution with that obtained for dissipation through local Lindblad terms for each individual oscillator and show that the evolution is different in the two cases. In particular, the two descriptions give different predictions for the steady state and for the entanglement between strongly coupled oscillators. This shows that when describing strongly coupled harmonic oscillators, one must take great care in how dissipation is modeled and that a description using local Lindblad terms may fail. This may be particularly relevant when attempting to generate entangled states of strongly coupled quantum systems.