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arXiv:2205.08114 · Physical Review Research

Nonperturbative renormalization of quantum thermodynamics from weak to strong couplings

Wei-Ming Huang, Wei-Min Zhang

Published May 23, 2022• 27 citations
arXivHTMLPDF

Abstract

By solving the exact master equation of open quantum systems, we formulate the quantum thermodynamics from weak to strong couplings. The open quantum systems exchange matters, energies, and information with their reservoirs through quantum particle tunnelings that are described by the generalized Fano-Anderson Hamiltonians. We find that the exact solution of the reduced density matrix of these systems approaches a Gibbs-type state in the steady-state limit for the systems in arbitrary initial states as well as for both the weak and strong system-reservoir coupling strengths. When the couplings become strong, thermodynamic quantities of the system must be renormalized. The renormalization effects are obtained nonperturbatively after exactly tracing over all reservoir states through the coherent state path integrals. The renormalized system Hamiltonian is characterized by the renormalized system energy levels and interactions, corresponding to the quantum work done by the system. The renormalized temperature is introduced to characterize the entropy production counting the heat transfer between the system and the reservoir. We further find that only with the renormalized system Hamiltonian and other renormalized thermodynamic quantities can the exact steady state of the system be expressed as the standard Gibbs state. Consequently, the corresponding exact steady-state particle occupations in the renormalized system energy levels obey the Bose-Einstein and the Fermi-Dirac distributions for bosonic and fermionic systems, respectively. In the very weak system-reservoir coupling limit, the renormalized system Hamiltonian and the renormalized temperature are reduced to the original bare Hamiltonian of the system and the initial temperature of the reservoir. Thus, the conventional statistical mechanics and thermodynamics are thereby rigorously deduced from quantum dynamical evolution. In the last, this nonperturbative renormalization method is also extended to general interacting open quantum systems.

DOI
10.1103/physrevresearch.4.023141

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By solving the exact master equation of open quantum systems, we formulate the quantum thermodynamics from weak to strong couplings. The open quantum systems exchange matters, energies, and information with their reservoirs through quantum particle tunnelings that are described by the generalized Fano-Anderson Hamiltonians. We find that the exact solution of the reduced density matrix of these systems approaches a Gibbs-type state in the steady-state limit for the systems in arbitrary initial states as well as for both the weak and strong system-reservoir coupling strengths. When the couplings become strong, thermodynamic quantities of the system must be renormalized. The renormalization effects are obtained nonperturbatively after exactly tracing over all reservoir states through the coherent state path integrals. The renormalized system Hamiltonian is characterized by the renormalized system energy levels and interactions, corresponding to the quantum work done by the system. The renormalized temperature is introduced to characterize the entropy production counting the heat transfer between the system and the reservoir. We further find that only with the renormalized system Hamiltonian and other renormalized thermodynamic quantities can the exact steady state of the system be expressed as the standard Gibbs state. Consequently, the corresponding exact steady-state particle occupations in the renormalized system energy levels obey the Bose-Einstein and the Fermi-Dirac distributions for bosonic and fermionic systems, respectively. In the very weak system-reservoir coupling limit, the renormalized system Hamiltonian and the renormalized temperature are reduced to the original bare Hamiltonian of the system and the initial temperature of the reservoir. Thus, the conventional statistical mechanics and thermodynamics are thereby rigorously deduced from quantum dynamical evolution. In the last, this nonperturbative renormalization method is also extended to general interacting open quantum systems.
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 derive the quantum thermodynamics of quantum Brownian motion from the exact solution of its reduced density matrix. We start from the total equilibrium thermal state between the Brownian particle and its reservoir, and solve analytically and exactly the reduced density matrix of the system by taking the partial trace over all the reservoir states. We find that the reduced Hamiltonian and the reduced partition function of the Brownian motion must be renormalized significantly, as shown in the general nonperturbative renormalization theory of quantum thermodynamics for open quantum systems we developed recently [Phys. Rev. Res. 4, 023141 (2022)]. The reduced Hamiltonian contains not only a frequency shift but also a squeezing pairing interaction, where a momentum-dependent potential is generated naturally from the strong coupling between the Brownian particle and the reservoir, after traced over all the reservoir states. The resulting exact reduced density matrix of the Brownian motion is given by a squeezing thermal state. Moreover, beyond the weak coupling limit, in order to obtain correctly the reduced partition function of the Brownian motion, one must take into account the non-negligible changes of the reservoir state induced by the system-reservoir coupling. Using the exact solutions of the reduced density matrix, the reduced Hamiltonian as well as the reduced partition function of the Brownian motion, we show that the controversial results obtained from the different definitions of internal energy and the issue of the negative heat capacity in the previous studies of strong-coupling quantum thermodynamics are resolved.
A central open question in quantum thermodynamics is the identification of thermodynamic entropy away from equilibrium. Although thermodynamic entropy coincides with the von Neumann entropy for a Gibbs state at equilibrium, the thermodynamic role of quantum coherence generated during nonequilibrium evolution remains unclear. Here, we show that von Neumann entropy does not, in general, represent the thermodynamic entropy governing heat exchange in coherent nonequilibrium quantum systems. By integrating the resource theory of quantum coherence with thermodynamic principles, we develop a general framework for nonequilibrium quantum thermodynamics. We identify thermodynamic entropy with the energy entropy derived from energy-measurement statistics and introduce a dynamical temperature extending the equilibrium concept to nonequilibrium states. Consequently, we obtain an exact entropy-balance relation separating the entropy flux associated with heat exchange from the coherence-loss contribution to entropy production, establishing an operational connection between quantum coherence, heat flow, and total entropy change. Unlike approaches relying on equilibrium reference states or stationary Gibbs ensembles, our framework uses instantaneous dynamical quantities and remains valid throughout transient nonequilibrium evolution. It provides consistent dynamical definitions of temperature, work, heat, and free energy. Applying the formalism to an exactly solvable open quantum system, we show that the first and second laws hold throughout transient evolution and that equilibrium thermodynamics emerges dynamically in the weak-coupling long-time limit. Our results establish a unified framework for coherent nonequilibrium quantum thermodynamics and suggest opportunities for controlling heat dissipation through coherence engineering in quantum thermal technologies.
The strong system-reservoir coupling prevents the thermal equilibrium state of systems from being expressed as a Gibbs state with bare system Hamiltonian. Correspondingly, many thermodynamic quantities must be redefined. In particular, for the heat capacity of strongly coupled quantum Brownian motion, there has been controversy regarding inconsistencies in different definitions and the anomalous negative heat capacity. Here, the authors rigorously solve the reduced density matrix of quantum Brownian motion and obtain the renormalized Hamiltonian and reduced partition function. This resolves the controversy about the heat capacity under strong coupling.
A general thermodynamic framework is presented for open quantum systems in fixed contact with a thermal reservoir. The first and second law are obtained for arbitrary system-reservoir coupling strengths, and including both factorized and correlated initial conditions. The thermodynamic properties are adapted to the generally strong coupling regime, approaching the ones defined for equilibrium, and their standard weak-coupling counterparts as appropriate limits. Moreover, they can be inferred from measurements involving only system observables. Finally, a thermodynamic signature of non-Markovianity is formulated in the form of a negative entropy production rate.
Heat exchanged between an open quantum system and its environment exhibits fluctuations that carry crucial signatures of the underlying dynamics. Within the well-established two-point measurement scheme, we identify a “heat operator,” whose moments with respect to the vacuum state of a thermofield-doubled Hilbert space correspond to the stochastic moments of the heat exchanged with a bath. This recasts heat statistics as a unitary time evolution problem, which we solve by combining chain-mapped reservoirs with tensor-network propagation. In a multibath setup, all total and bath-resolved heat moments then follow from a single pure state evolution. We employ this approach to compute transient and steady-state heat fluctuations in Ohmic spin-boson models in and out of equilibrium, accessing the challenging low-temperature and long memory time regimes of the environment. In the nonequilibrium case, we show a crossover in the Fano factor from super-Poissonian to nearly Poissonian statistics under strong coupling asymmetry, corresponding to thermal rectification behavior. The method applies to noninteracting (bosonic or fermionic) nonequilibrium environments with arbitrary spectral densities, offering a powerful, nonperturbative framework for understanding heat transfer in open quantum systems.