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arXiv:2406.10477 · Physical review. E

Complete positivity and thermal relaxation in quadratic quantum master equations

F. Nicacio, Tomoi Koide C

Published Nov 14, 2024• 5 citations
arXivHTMLPDF

Abstract

The ultimate goal of this paper is to develop a systematic method for deriving quantum master equations that satisfy the requirements of a completely positive and trace-preserving (CPTP) map, further describing thermal relaxation processes. In this paper, we assume that the quantum master equation is obtained through the canonical quantization of the generalized Brownian motion proposed in our recent paper [T. Koide and F. Nicacio, Phys. Lett. A 494, 129277 (2024)0375-960110.1016/j.physleta.2023.129277]. At least classically, this dynamics describes the thermal relaxation process regardless of the choice of the system Hamiltonian. The remaining task is to identify the parameters ensuring that the quantum master equation meets complete positivity. We limit our discussion to many-body quadratic Hamiltonians and establish a CPTP criterion for our quantum master equation. This criterion is useful for applying our quantum master equation to models with interaction such as a network model, which has been used to investigate how quantum effects modify heat conduction.

DOI
10.1103/physreve.110.054116

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The ultimate goal of this paper is to develop a systematic method for deriving quantum master equations that satisfy the requirements of a completely positive and trace-preserving (CPTP) map, further describing thermal relaxation processes. In this paper, we assume that the quantum master equation is obtained through the canonical quantization of the generalized Brownian motion proposed in our recent paper [T. Koide and F. Nicacio, Phys. Lett. A 494, 129277 (2024)0375-960110.1016/j.physleta.2023.129277]. At least classically, this dynamics describes the thermal relaxation process regardless of the choice of the system Hamiltonian. The remaining task is to identify the parameters ensuring that the quantum master equation meets complete positivity. We limit our discussion to many-body quadratic Hamiltonians and establish a CPTP criterion for our quantum master equation. This criterion is useful for applying our quantum master equation to models with interaction such as a network model, which has been used to investigate how quantum effects modify heat conduction.
We present a systematic procedure to derive a quantum master equation for thermal relaxation in real scalar field theory, expanding on the method proposed in Koide and Nicacio [Phys. Lett. A 494, 129277 (2024)0375-960110.1016/j.physleta.2023.129277]. We begin by introducing a generalized model for a classical scalar field interacting with a Brownian thermostat, consistent with stochastic thermodynamics. Applying canonical quantization to this model, we derive the corresponding quantum master equation, which is applicable to any form of the scalar field Hamiltonian. While its evolution is generally non-CPTP (completely positive and trace preserving), it can be adjusted to describe a CPTP evolution, such as those found in the Gorini-Kossakowski-Sudarshan-Lindblad equation by appropriately tuning the parameters of the model. In this framework, we define heat, work, and entropy in a way that satisfies the first and second laws of quantum thermodynamics. This suggests that the quantum-classical correspondence extends beyond closed systems governed by unitary time evolution to open systems as well. We further investigate the relation between the second law in quantum thermodynamics and relative entropy, providing insights into the study of quantum fluctuations through information-theoretical techniques in quantum field theory.
Non-Markovian master equations describe general open quantum systems when no approximation is made. We provide the exact closed master equation for the class of Gaussian, completely positive, trace preserving, non-Markovian dynamics. This very general result allows us to investigate a vast variety of physical systems. We show that the master equation for non-Markovian quantum Brownian motion is a particular case of our general result. Furthermore, we derive the master equation unraveled by a non-Markovian, dissipative stochastic Schrödinger equation, paving the way for the analysis of dissipative non-Markovian collapse models.
Abstract This chapter introduces the fundamentals of the description of the quantum dynamics of open systems in terms of quantum master equations, together with its most important applications. Special emphasis is laid on the theory of completely positive quantum dynamical semigroups, which leads to the concept of a quantum Markov process. It discusses the relaxation to equilibrium and the multi-time structure of quantum Markov processes, as well as their irreversible nature which is characterized by an appropriate entropy functional. Microscopic derivations for various quantum master equations are presented, such as the quantum optical master equation and the master equation for quantum Brownian motion. As a further application, the master equation describing continuous measurements is derived and used to study the quantum Zeno effect. The chapter also contains a treatment of non-linear, mean field quantum master equations together with applications to laser theory and super-radiance.
Open quantum systems play a central role in contemporary nanoscale technologies, including molecular electronics, quantum heat engines, quantum computation and information processing. A major theoretical challenge is to construct dynamical models that are simultaneously consistent with classical thermodynamics and complete positivity. In this work, we develop a framework that addresses this issue by extending classical stochastic dynamics to the quantum domain. We begin by formulating a generalized Langevin equation in which both friction and noise act symmetrically on the two Hamiltonian equations. From this, we derive a generalized Klein-Kramers equation expressed in terms of Poisson brackets, and we show that it admits the Boltzmann distribution as its stationary solution while satisfying the first and second laws of thermodynamics along individual trajectories. Applying canonical quantization to this classical framework yields two distinct quantum master equations, depending on whether the friction operators are taken to be Hermitian or non-Hermitian. By analyzing the dynamics of a harmonic oscillator, we determine the conditions under which these equations reduce to a Lindblad-type generator. Our results demonstrate that complete positivity is ensured only when friction and noise are included in both Hamiltonian equations, thus fully justifying the classical construction. Moreover, we find that the friction coefficients must satisfy the same positivity condition in both the Hermitian and non-Hermitian formulations, revealing a form of universality that transcends the specific operator representation. The formalism offers a versatile tool for deriving quantum versions of the thermodynamic laws and is directly applicable to a wide class of nonequilibrium nanoscale systems.
Completely positive, trace preserving (CPT) maps and Lindblad master equations are both widely used to describe the dynamics of open quantum systems. The connection between these two descriptions is a classic topic in mathematical physics. One direction was solved by the now famous result due to Lindblad, Kossakowski Gorini and Sudarshan, who gave a complete characterisation of the master equations that generate completely positive semi-groups. However, the other direction has remained open: given a CPT map, is there a Lindblad master equation that generates it (and if so, can we find it's form)? This is sometimes known as the Markovianity problem. Physically, it is asking how one can deduce underlying physical processes from experimental observations. We give a complexity theoretic answer to this problem: it is NP-hard. We also give an explicit algorithm that reduces the problem to integer semi-definite programming, a well-known NP problem. Together, these results imply that resolving the question of which CPT maps can be generated by master equations is tantamount to solving P=NP: any efficiently computable criterion for Markovianity would imply P=NP; whereas a proof that P=NP would imply that our algorithm already gives an efficiently computable criterion. Thus, unless P does equal NP, there cannot exist any simple criterion for determining when a CPT map has a master equation description. However, we also show that if the system dimension is fixed (relevant for current quantum process tomography experiments), then our algorithm scales efficiently in the required precision, allowing an underlying Lindblad master equation to be determined efficiently from even a single snapshot in this case. Our work also leads to similar complexity-theoretic answers to a related long-standing open problem in probability theory.
The "standard" Brownian motion master equation, used to describe thermal damping, is not completely positive, and does not admit a Monte Carlo method, important in numerical simulations. To eliminate both these problems one must add a term that generates additional position diffusion. He we show that one can obtain a completely positive simple quantum Brownian motion, efficiently solvable, without any extra diffusion. This is achieved by using a stochastic Schrödinger equation (SSE), closely analogous to Langevin's equation, that has no equivalent Markovian master equation. Considering a specific example, we show that this SSE is sensitive to nonlinearities in situations in which the master equation is not, and may therefore be a better model of damping for nonlinear systems.