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Energy Conservation in Open Quantum Systems

Albertus J. J. M. de Klerk

Published Jan 1, 2018• 0 citations
Publisher

Abstract

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.

DOI
10.5282/ubm/epub.59549

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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 develop a systematic field-theoretical approach to open quantum systems based on condensed-matter many-body methods. The time evolution of the reduced density matrix for the open quantum system is determined by a transmission matrix. Developing diagrammatic perturbation theory, invoking Wick's theorem in connection with a Caldeira-Leggett quantum oscillator environment in thermal equilibrium, the transmission matrix satisfies a Dyson equation characterized by an irreducible kernel. Unlike the Nakajima-Zwanzig and standard approaches, the Dyson equation is equivalent to a general non-Markovian master equation for the reduced density matrix, incorporating secular effects and independent of the initial preparation. The kernel is determined by a systematic diagrammatic expansion in powers of the interaction. We consider the Born approximation for the kernel. Applying a condensed-matter pole or, equivalently, a quasiparticle-type approximation, equivalent to the usual assumption of a timescale separation, we derive a master equation of the Markov type. Furthermore, imposing the rotating-wave approximation, we obtain a Markov master equation of the Lindblad form. To illustrate the method, we consider the standard example of a single qubit coupled to a thermal heat bath.
In a previous work we developed a field theoretical approach to open quantum systems using condensed matter methods. In the Born approximation we derived the Redfield equation on the basis of a multi-oscillator bath, a Dyson equation, a diagrammatic expansion and a quasi-particle approximation. In addition applying a rotating wave approximation we obtained the Lindblad equation describing a proper quantum map. The issue regarding the additional rotating wave approximation was left as an open problem. The present work addresses the open problem and presents new results. We identify a discrepancy in the popular and standard Redfield equation. The discrepancy is associated with the well-known fact that the Redfield equation does not represent a proper quantum map. The discrepancy is related to the diagrammatic expansion and a consistency requirement in the quasi-particle approximation. The explicit resolution of this discrepancy is obtained by imposing energy conservation on the Born level. As a result we obtain formal equivalence between the energy-conserving Redfield equation and the Lindblad equation without invoking the rotating wave approximation. We provide a detailed mapping of the field theoretical approach to the standard microscopic derivation in the theory of open quantum systems.
An open quantum system in contact with an infinite bath approaches equilibrium, while the state of the bath remains unchanged. If the bath is finite, the open system still relaxes to equilibrium but it induces a dynamical evolution of the bath state. In this paper, we study the dynamics of open quantum systems in contact with finite baths. We obtain a hierarchy of master equations that improve their accuracy by including more dynamical information of the bath. For instance, as the least accurate but simplest description in the hierarchy, we obtain the conventional Born-Markov-secular master equation. Remarkably, our framework works even if the measurements of the bath energy are imperfect, which not only is more realistic but also unifies the theoretical description. Also, we discuss this formalism in detail for a particular noninteracting environment where the Boltzmann temperature and the Kubo-Martin-Schwinger relation naturally arise. Finally, we apply our hierarchy of master equations to study the central spin model.
The structure of the initial system-environment state is fundamental to determining the nature and characteristics of the evolution of such an open quantum system. The usual assumption is to consider that the initial system-environment state is separable. Here, we go beyond this simple case and derive the evolution equations, up to second order in a weak-coupling expansion, that describe the evolution of the reduced density matrix of the system for any arbitrary system-environment initial state. The structure of these equations allows us to determine the initial conditions for which the evolution of the reduced density matrix can be written in terms of a set of Lindblad-like equations, once considering the Markov and secular approximations. Moreover, we show that for initial states belonging to a subset of separable states such Lindblad-like equations become actual Lindblad equations and that the evolution of ${\ensuremath{\rho}}_{s}$ thereby obtained is also trace and positive preserving.
We present a derivation of the Lindblad equation -an important tool for the treatment of nonunitary evolutions -that is accessible to undergraduate students in physics or mathematics with a basic background on quantum mechanics. We consider a specific case, corresponding to a very simple situation, where a primary system interacts with a bath of harmonic oscillators at zero temperature, with an interaction Hamiltonian that resembles the Jaynes-Cummings formato We start with the Born-Markov equation and, tracing out the bath degrees of freedom, we obtain an equation in the Lindblad formo The specific situation is very instructive, for it makes it easy to realize that the Lindblads represent the effect on the main system caused by the interaction with the bath, and that the Markov approximation is a fundamental condition for the emergence of the Lindbladian operator. The formal derivation of the Lindblad equation for a more general case requires the use of quantum dynamical semi-groups and broader considerations regarding the environment and temperature than we have considered in the particular case treated here.
Quantum systems are inherently open to their environment and thus they evolve under the influence of dissipation, decoherence and driving from external fields. This poses a significant theoretical challenge: how to track the dynamics of the system of interest while tracing out environmental degrees of freedom. Markovian master equations offer a longstanding solution to this problem, where under a series of assumptions the reduced density matrix of the system can be obtained. These flexible approaches provide a conceptually and numerically simple framework for describing complex many-body systems. However, the assumptions enforced by Markovian master equations create a gap in the availability of generic, simple, and analytical techniques capable of treating open quantum systems beyond the regimes of standard Markovian master equations. In this thesis, we introduce three studies addressing three regimes that are inaccessible to standard Markovian master equations and investigate their consequences in quantum thermodynamics-inspired applications. We begin by developing a Markovian embedding technique to tackle non-Markovian dynamics induced by the long correlation times of a qubit coupled to a structured environment. Subsequently, we propose an "effective" Hamiltonian theory enabling the study of equilibrium properties of strong coupling to a thermal reservoir through a dressed version of the Gibbs state. This framework can also be applied to address problems of equilibration, transport, quantum thermal machines, and quantum dynamics. Lastly, we showcase the importance of including non-secular terms in the quantum master equation, which results in a drastic separation of timescales leading to rich metastable dynamics. We apply this quantum master equation approach to temperature sensing in a nonequilibrium setting offering an alternative to standard equilibrium probes. Overall, this thesis contributes novel theoretical techniques for tackling open quantum systems beyond standard approximations with applications in quantum thermodynamics.