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arXiv:2112.11962

Renormalization in the Theory of Open Quantum Systems via the Self-Consistency Condition

Marek Winczewski, Robert Alicki

Published Dec 22, 2021• 4 citations
arXivHTMLPDF

Abstract

We investigate the topic of renormalization in the theory of weakly interacting open quantum systems. Our starting point is an open quantum system interacting with a single heat bath. For a given setup, we discuss that the stationary state of the Davies-GKSL equation is thermodynamically inconsistent with the presence of the Lamb-Stark shift term. For this reason, we postulate the self-consistency condition for the dynamical equations. The condition fixes the renormalization procedure and recovers the thermodynamical consistency. In this way, we rederive the cumulant equation to illustrate how the self-consistency condition enters the derivation of the dynamical equations. The physical interpretation of the renormalization procedure is discussed in terms of the Born approximation. Furthermore, we compare the Lamb-Stark shift term (dynamical correction) with the second-order (static) correction to the so-called mean-force (Gibbs state) Hamiltonian. The discrepancy between the static and the dynamical correction questions the physical meaning of the latter one. Finally, we formulate a simplified renormalization scheme that can be directly applied to Davies-GKSL or Bloch-Redfield equations.

DOI
10.48550/arxiv.2112.11962

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We investigate the topic of renormalization in the theory of weakly interacting open quantum systems. Our starting point is an open quantum system interacting with a single heat bath. For a given setup, we discuss that the stationary state of the Davies-GKSL equation is thermodynamically inconsistent with the presence of the Lamb-Stark shift term. For this reason, we postulate the self-consistency condition for the dynamical equations. The condition fixes the renormalization procedure and recovers the thermodynamical consistency. In this way, we rederive the cumulant equation to illustrate how the self-consistency condition enters the derivation of the dynamical equations. The physical interpretation of the renormalization procedure is discussed in terms of the Born approximation. Furthermore, we compare the Lamb-Stark shift term (dynamical correction) with the second-order (static) correction to the so-called mean-force (Gibbs state) Hamiltonian. The discrepancy between the static and the dynamical correction questions the physical meaning of the latter one. Finally, we formulate a simplified renormalization scheme that can be directly applied to Davies-GKSL or Bloch-Redfield equations.
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 put forth a new class of quantum master equations that correctly reproduce the asymptotic state of an open quantum system beyond the infinitesimally weak system-bath coupling limit. Our method is based on incorporating the knowledge of the reduced steady state into its dynamics. The correction not only steers the reduced system toward a correct steady state but also improves the accuracy of the dynamics, thereby refining the archetypal Born-Markov weak-coupling second-order master equations. In case of equilibrium, we use the exact mean-force Gibbs state to correct the Redfield quantum master equation. By benchmarking it with the exact solution of the damped harmonic oscillator, we show that our method also helps correct the long-standing issue of positivity violation, albeit without complete positivity. Our method of a canonically consistent quantum master equation opens a new perspective in the theory of open quantum systems leading to a reduced density matrix accurate beyond the commonly used Redfield and Lindblad equations, while retaining the same conceptual and numerical complexity.
A close examination of the validity of the Markovian approximation in the context of relaxation theory is presented. In particular, we examine the question of positivity of various approximations to the reduced dynamics of an open system in interaction with a heat reservoir. It is shown that the Markovian equations of motion obtained in the weak coupling limit (Redfield equations) are a consistent approximation to the actual reduced dynamics only if supplemented by a slippage in the initial conditions. This slippage captures the effects of the non-Markovian evolution that takes place in a short transient time, of the order of the relaxation time of the isolated bath.
The Redfield equation describes the dynamics of a quantum system weakly coupled to one or more reservoirs and is widely used in theory of open quantum system. However, the assumption of weak system-reservoir coupling is often not fully adequate and higher-order corrections to the Redfield equation with respect to the system-bath coupling is required. Here we propose a general method of derivation of higher-order corrections to the Redfield quantum master equation based on the hierarchical equations of motion (HEOM). Also we derive conditions of validity of the Redfield equation as well as the additional secular approximation for it.
We develop the strong coupling quantum thermodynamics based on the solution of the exact master equation. We find that both the Hamiltonian and the temperature must be renormalized due to the system-reservoir couplings. With the renormalized Hamiltonian and temperature, the exact steady state of open quantum systems can be expressed as a standard Gibbs state. The exact steady-state particle distributions obey the Bose-Einstein distribution or the Fermi-Dirac distribution only for the renormalized energy and temperature. In this formulation, heat and work are quantum mechanically defined, from which we compute the specific heat and examine the consistency of the theory. Consequently, thermodynamic laws and statistical mechanics emerge naturally and rigorously from quantum evolution of open systems.
We present a systematic thermodynamic analysis of nonsecular GKLS master equations. When some energy transitions in the system are comparable with the dissipative rate, the secular approximation is not valid, and the positivity of the dynamics must be ensured via other approximations. The dynamics then presents features reminiscent from strong coupling to the environment: e.g. the equilibrium state with an environment at thermal equilibrium is not a Gibbs state of the local system Hamiltonian and the dynamics couples energy coherences and populations. Nonetheless, we build a unified, consistent thermodynamic framework for those dynamics. We focus on two approximations beyond the full secular approximation (the local and the more accurate geometric-arithmetic approximations), and then employ systematic perturbation theory on microscopic expressions for the first and second law of thermodynamics which relate irreversibility to the increase of system-environment correlations. We show that, in spite of the weak system-bath coupling, the system-bath interaction energy participates to the energy balance, and is directly linked to the Lamb-shift Hamiltonian. We compare this microscopic entropy production with the definition based on the contractivity of the reduced system dynamics (Spohn inequality). We show that, unlike for secular master equations, the two entropy production rates differ because of the presence of non-vanishing stationary coherences in the energy eigenbasis. However, in the case of a single thermal bath, the difference is purely transient, and no work can be cyclically extracted from the steady-state despite its non-Gibbs form. Finally, we illustrate our results with simple examples, clarifying and completing the thermodynamic picture of Markovian dynamics in the quantum regime.