Stochastic Thermodynamics of a Finite Quantum System Coupled to Two Heat Baths.

We consider a situation where an N-level system (NLS) is coupled successively to two heat baths with different temperatures without being necessarily thermalized and approaches a steady state. For this situation we apply a general Jarzynski-type equation and conclude that heat and entropy is flowing from the hot bath to the cold one. The Clausius relation between increase of entropy and transfer of heat divided by a suitable temperature assumes the form of two inequalities. Our approach is illustrated by an analytical example. For the linear regime, i.e., for small temperature differences between the two heat baths, we derive an expression for the heat conduction coefficient.

Eigenstate Thermalization Hypothesis and Its Deviations from Random-Matrix Theory beyond the Thermalization Time.

The eigenstate thermalization hypothesis explains the emergence of the thermodynamic equilibrium in isolated quantum many-body systems by assuming a particular structure of the observable's matrix elements in the energy eigenbasis. Schematically, it postulates that off-diagonal matrix elements are random numbers and the observables can be described by random matrix theory (RMT). To what extent a RMT description applies, more precisely at which energy scale matrix elements of physical operators become truly uncorrelated, is, however, not fully understood. We study this issue by introducing a novel numerical approach to probe correlations between matrix elements for Hilbert-space dimensions beyond those accessible by exact diagonalization. Our analysis is based on the evaluation of higher moments of operator submatrices, defined within energy windows of varying width. Considering nonintegrable quantum spin chains, we observe that matrix elements remain correlated even for narrow energy windows corresponding to timescales of the order of thermalization time of the respective observables. We also demonstrate that such residual correlations between matrix elements are reflected in the dynamics of out-of-time-ordered correlation functions.

Spin-current autocorrelations from single pure-state propagation.

We demonstrate that the concept of quantum typicality allows for significant progress in the study of real-time spin dynamics and transport in quantum magnets. To this end, we present a numerical analysis of the spin-current autocorrelation function of the antiferromagnetic and anisotropic spin-1/2 Heisenberg chain as inferred from propagating only a single pure state, randomly chosen as a "typical" representative of the statistical ensemble. Comparing with existing time-dependent density-matrix renormalization group data, we show that typicality is fulfilled extremely well, consistent with an error of our approach, which is perfectly under control and vanishes in the thermodynamic limit. In the long-time limit, our results provide for a new benchmark for the enigmatic spin Drude weight, which we obtain from chains as long as L=33 sites, i.e., from Hilbert spaces of dimensions almost O(104) larger than in existing exact-diagonalization studies.

Estimation of equilibration time scales from nested fraction approximations.

We consider an autocorrelation function of a quantum mechanical system through the lens of the so-called recursive method, by iteratively evaluating Lanczos coefficients or solving a system of coupled differential equations in the Mori formalism. We first show that both methods are mathematically equivalent, each offering certain practical advantages. We then propose an approximation scheme to evaluate the autocorrelation function and use it to estimate the equilibration time τ for the observable in question. With only a handful of Lanczos coefficients as the input, this scheme yields an accurate order of magnitude estimate of τ, matching state-of-the-art numerical approaches. We develop a simple numerical scheme to estimate the precision of our method. We test our approach using several numerical examples exhibiting different relaxation dynamics. Our findings provide a practical way to quantify the equilibration time of isolated quantum systems, a question which is both crucial and notoriously difficult.

Interplay of decoherence and relaxation in a two-level system interacting with an infinite-temperature reservoir.

We study the time evolution of a single qubit in contact with a bath, within the framework of projection operator methods. Employing the so-called modified Redfield theory, which also treats energy conserving interactions nonperturbatively, we are able to study the regime beyond the scope of the ordinary approach. Reduced equations of motion for the qubit are derived in an idealistic system where both the bath and system-bath interactions are modeled by Gaussian distributed random matrices. In the strong decoherence regime, a simple relation between the bath correlation function and the decoherence process induced by the energy conserving interaction is found. It implies that energy conserving interactions slow down the relaxation process, which leads to a Zeno freezing if they are sufficiently strong. Furthermore, our results are also confirmed in numerical simulations.

Real-time broadening of bath-induced density profiles from closed-system correlation functions.

The Lindblad master equation is one of the main approaches to open quantum systems. While it has been widely applied in the context of condensed matter systems to study properties of steady states in the limit of long times, the actual route to such steady states has attracted less attention yet. Here, we investigate the nonequilibrium dynamics of spin chains with a local coupling to a single Lindblad bath and analyze the transport properties of the induced magnetization. Combining typicality and equilibration arguments with stochastic unraveling, we unveil for the case of weak driving that the dynamics in the open system can be constructed on the basis of correlation functions in the closed system, which establishes a connection between the Lindblad approach and linear response theory at finite times. In this way, we provide a particular example where closed and open approaches to quantum transport agree strictly. We demonstrate this fact numerically for the spin-1/2 XXZ chain at the isotropic point and in the easy-axis regime, where superdiffusive and diffusive scaling is observed, respectively.

Typical perturbation theory: Conditions, accuracy, and comparison with a mesoscopic case.

The perturbation theory based on typicality introduced by Dabelow and Reimann [Phys. Rev. Lett. 124, 120602 (2020)0031-900710.1103/PhysRevLett.124.120602] and further refined by Dabelow et al. [Phys. Rev. Res. 2, 033210 (2020)2643-156410.1103/PhysRevResearch.2.033210; J. Stat. Mech. (2021) 0131061742-546810.1088/1742-5468/abd026] provides a powerful tool since it is intended to be applicable to a wide range of scenarios while relying on only a few parameters. Even though the authors present various examples to demonstrate the effectiveness of the theory, the conditions used in its derivation are often not thoroughly checked. It is argued that this is justified (without analytical reasoning) by the robustness of the theory. In the paper at hand, said perturbation theory is tested on three spin-based models. The following criteria are taken into focus: the fulfillment of the conditions, the accuracy of the predicted dynamics, and the relevance of the results with respect to a mesoscopic case.

Integral fluctuation theorem and generalized Clausius inequality for microcanonical and pure states.

Fluctuation theorems are cornerstones of modern statistical mechanics and their standard derivations routinely rely on the crucial assumption of a canonical equilibrium state. Yet rigorous derivations of certain fluctuation theorems for microcanonical states and pure energy eigenstates in isolated quantum systems are still lacking and constitute a major challenge to theory. In this work we tackle this challenge and present such a derivation of an integral fluctuation theorem (IFT) by invoking two central and physically natural conditions, i.e., the so-called "stiffness" and "smoothness" of transition probabilities. Our analytical arguments are additionally substantiated by numerical simulations for archetypal many-body quantum systems, including integrable as well as nonintegrable models of interacting spins and hard-core bosons on a lattice. These simulations strongly suggest that "stiffness" and "smoothness" are indeed of vital importance for the validity of the IFT for microcanonical and pure states. Our work contrasts with recent approaches to the IFT based on Lieb-Robinson speeds and the eigenstate thermalization hypothesis.

Numerically probing the universal operator growth hypothesis.

Recently, a hypothesis on the complexity growth of unitarily evolving operators was presented. This hypothesis states that in generic, nonintegrable many-body systems, the so-called Lanczos coefficients associated with an autocorrelation function grow asymptotically linear, with a logarithmic correction in one-dimensional systems. In contrast, the growth is expected to be slower in integrable or free models. In this paper, we numerically test this hypothesis for a variety of exemplary systems, including one-dimensional and two-dimensional Ising models as well as one-dimensional Heisenberg models. While we find the hypothesis to be practically fulfilled for all considered Ising models, the onset of the hypothesized universal behavior could not be observed in the attainable numerical data for the Heisenberg model. The proposed linear bound on operator growth associated with the hypothesis eventually stems from geometric arguments involving the locality of the Hamiltonian as well as the lattice configuration. We derive and investigate a related geometric bound, and we find that while the bound itself is not sharply achieved for any considered model, the hypothesis is nonetheless fulfilled in most cases.

Nontrivial damping of quantum many-body dynamics.

Understanding how the dynamics of a given quantum system with many degrees of freedom is altered by the presence of a generic perturbation is a notoriously difficult question. Recent works predict that, in the overwhelming majority of cases, the unperturbed dynamics is just damped by a simple function, e.g., exponentially as expected from Fermi's golden rule. While these predictions rely on random-matrix arguments and typicality, they can only be verified for a specific physical situation by comparing to the actual solution or measurement. Crucially, it also remains unclear how frequent and under which conditions counterexamples to the typical behavior occur. In this work, we discuss this question from the perspective of projection-operator techniques, where exponential damping of a density matrix occurs in the interaction picture but not necessarily in the Schrödinger picture. We show that a nontrivial damping in the Schrödinger picture can emerge if the dynamics in the unperturbed system possesses rich features, for instance due to the presence of strong interactions. This suggestion has consequences for the time dependence of correlation functions. We substantiate our theoretical arguments by large-scale numerical simulations of charge transport in the extended Fermi-Hubbard chain, where the nearest-neighbor interactions are treated as a perturbation to the integrable reference system.

Stiffness of probability distributions of work and Jarzynski relation for initial microcanonical and energy eigenstates.

We consider closed quantum systems which are driven such that only negligible heating occurs. If driving only affects small parts of the system, it may nonetheless be strong. Our analysis aims at clarifying under which conditions the Jarzynski relation (JR) holds in such setups, if the initial states are microcanonical or even energy eigenstates. We find that the validity of the JR for the microcanonical initial state hinges on an exponential density of states and on stiffness. The latter indicates an independence of the probability density functions (PDFs) of work of the energy of the respective microcanonical initial state. The validity of the JR for initial energy eigenstates is found to additionally require smoothness. The latter indicates an independence of the work PDFs of the specific energy eigenstates within a microcanonical energy shell. As the validity of the JR for pure initial energy eigenstates has no analog in classical systems, we consider it a genuine quantum phenomenon.

Modern concepts of quantum equilibration do not rule out strange relaxation dynamics.

Numerous pivotal concepts have been introduced to clarify the puzzle of relaxation and/or equilibration in closed quantum systems. All of these concepts rely in some way on specific conditions on Hamiltonians H, observables A, and initial states ρ or combinations thereof. We numerically demonstrate and analytically argue that there is a multitude of pairs H,A that meet said conditions for equilibration and generate some typical expectation-value dynamics, which means 〈A(t)〉∝f(t) approximately holds for the vast majority of all initial states. Remarkably we find that, while restrictions on the f(t) exist, they do not at all exclude f(t) that are rather adverse or strange regarding thermal relaxation.

Eigenstate thermalization hypothesis beyond standard indicators: Emergence of random-matrix behavior at small frequencies.

Using numerical exact diagonalization, we study matrix elements of a local spin operator in the eigenbasis of two different nonintegrable quantum spin chains. Our emphasis is on the question to what extent local operators can be represented as random matrices and, in particular, to what extent matrix elements can be considered as uncorrelated. As a main result, we show that the eigenvalue distribution of band submatrices at a fixed energy density is a sensitive probe of the correlations between matrix elements. We find that, on the scales where the matrix elements are in a good agreement with all standard indicators of the eigenstate thermalization hypothesis, the eigenvalue distribution still exhibits clear signatures of the original operator, implying correlations between matrix elements. Moreover, we demonstrate that at much smaller energy scales, the eigenvalue distribution approximately assumes the universal semicircle shape, indicating transition to the random-matrix behavior, and in particular that matrix elements become uncorrelated.

Exponential damping induced by random and realistic perturbations.

Given a quantum many-body system and the expectation-value dynamics of some operator, we study how this reference dynamics is altered due to a perturbation of the system's Hamiltonian. Based on projection operator techniques, we unveil that if the perturbation exhibits a random-matrix structure in the eigenbasis of the unperturbed Hamiltonian, then this perturbation effectively leads to an exponential damping of the original dynamics. Employing a combination of dynamical quantum typicality and numerical linked cluster expansions, we demonstrate that our theoretical findings for random matrices can, in some cases, be relevant for the dynamics of realistic quantum many-body models as well. Specifically, we study the decay of current autocorrelation functions in spin-1/2 ladder systems, where the rungs of the ladder are treated as a perturbation to the otherwise uncoupled legs. We find a convincing agreement between the exact dynamics and the lowest-order prediction over a wide range of interchain couplings.

Full expectation-value statistics for randomly sampled pure states in high-dimensional quantum systems.

We explore how the expectation values 〈ψ|A|ψ〉 of a largely arbitrary observable A are distributed when normalized vectors |ψ〉 are randomly sampled from a high-dimensional Hilbert space. Our analytical results predict that the distribution exhibits a very narrow peak of approximately Gaussian shape, while the tails significantly deviate from a Gaussian behavior. In the important special case that the eigenvalues of A satisfy Wigner's semicircle law, the expectation-value distribution for asymptotically large dimensions is explicitly obtained in terms of a large deviation function, which exhibits two symmetric nonanalyticities akin to critical points in thermodynamics.

Impact of eigenstate thermalization on the route to equilibrium.

The eigenstate thermalization hypothesis (ETH) and the theory of linear response (LRT) are celebrated cornerstones of our understanding of the physics of many-body quantum systems out of equilibrium. While the ETH provides a generic mechanism of thermalization for states arbitrarily far from equilibrium, LRT extends the successful concepts of statistical mechanics to situations close to equilibrium. In our work, we connect these cornerstones to shed light on the route to equilibrium for a class of properly prepared states. We unveil that, if the off-diagonal part of the ETH applies, then the relaxation process can become independent of whether or not a state is close to equilibrium. Moreover, in this case, the dynamics is generated by a single correlation function, i.e., the relaxation function in the context of LRT. Our analytical arguments are illustrated by numerical results for idealized models of random-matrix type and more realistic models of interacting spins on a lattice. Remarkably, our arguments also apply to integrable quantum systems where the diagonal part of the ETH may break down.

Relaxation of dynamically prepared out-of-equilibrium initial states within and beyond linear response theory.

We consider a realistic nonequilibrium protocol, where a quantum system in thermal equilibrium is suddenly subjected to an external force. Due to this force, the system is driven out of equilibrium and the expectation values of certain observables acquire a dependence on time. Eventually, upon switching off the external force, the system unitarily evolves under its own Hamiltonian and, as a consequence, the expectation values of observables equilibrate towards specific constant long-time values. Summarizing our main results, we show that, in systems which violate the eigenstate thermalization hypothesis (ETH), this long-time value exhibits an intriguing dependence on the strength of the external force. Specifically, for weak external forces, i.e., within the linear response regime, we show that expectation values thermalize to their original equilibrium values, despite the ETH being violated. In contrast, for stronger perturbations beyond linear response, the quantum system relaxes to some nonthermal value which depends on the previous nonequilibrium protocol. While we present theoretical arguments which underpin these results, we also numerically demonstrate our findings by studying the real-time dynamics of two low-dimensional quantum spin models.

Occurrence of exponential relaxation in closed quantum systems.

We investigate the occurrence of exponential relaxation in a certain class of closed, finite systems on the basis of a time-convolutionless projection operator expansion for a specific class of initial states with vanishing inhomogeneity. It turns out that exponential behavior is to be expected only if the leading order predicts the standard separation of time scales and if, furthermore, all higher orders remain negligible for the full relaxation time. The latter, however, is shown to depend not only on the perturbation (interaction) strength, but also crucially on the structure of the perturbation matrix. It is shown that perturbations yielding exponential relaxation have to fulfill certain criteria, one of which relates to the so-called "Van Hove structure." All our results are verified by the numerical integration of the full time-dependent Schrödinger equation.

Transport in anisotropic model systems analyzed by a correlated projection superoperator technique.

By using a correlated projection operator, the time-convolutionless (TCL) method to derive a quantum master equation can be utilized to investigate the transport behavior of quantum systems as well. Here, we analyze a three-dimensional anisotropic quantum model system according to this technique. The system consists of Heisenberg coupled two-level systems in one direction and weak random interactions in all other ones. Depending on the partition chosen, we obtain ballistic behavior along the chains and normal transport in the perpendicular direction. These results are perfectly confirmed by the numerical solution of the full time-dependent Schrödinger equation.

Stiffness of probability distributions of work and Jarzynski relation for non-Gibbsian initial states.

We consider closed quantum systems (into which baths may be integrated) that are driven, i.e., subject to time-dependent Hamiltonians. Our point of departure is the assumption that if systems start in non-Gibbsian states at some initial energies, the resulting probability distributions of work may be largely independent of the specific initial energies. It is demonstrated that this assumption has some far-reaching consequences, e.g., it implies the validity of the Jarzynski relation for a large class of non-Gibbsian initial states. By performing numerical analysis on integrable and nonintegrable spin systems, we find the above assumption fulfilled for all examples considered. Through an analysis based on Fermi's golden rule, we partially relate these findings to the applicability of the eigenstate thermalization ansatz to the respective driving operators.