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.

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.

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.

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.

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.

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.

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.

Relation between far-from-equilibrium dynamics and equilibrium correlation functions for binary operators.

Linear response theory (LRT) is one of the main approaches to the dynamics of quantum many-body systems. However, this approach has limitations and requires, e.g., that the initial state is (i) mixed and (ii) close to equilibrium. In this paper, we discuss these limitations and study the nonequilibrium dynamics for a certain class of properly prepared initial states. Specifically, we consider thermal states of the quantum system in the presence of an additional static force which, however, become nonequilibrium states when this static force is eventually removed. While for weak forces the relaxation dynamics is well captured by LRT, much less is known in the case of strong forces, i.e., initial states far away from equilibrium. Summarizing our main results, we unveil that, for high temperatures, the nonequilibrium dynamics of so-called binary operators is always generated by an equilibrium correlation function. In particular, this statement holds true for states in the far-from-equilibrium limit, i.e., outside the linear response regime. In addition, we confirm our analytical results by numerically studying the dynamics of local fermionic occupation numbers and local energy densities in the spin-1/2 Heisenberg chain. Remarkably, these simulations also provide evidence that our results qualitatively apply in a more general setting, e.g., in the anisotropic XXZ model where the local energy is a non-binary operator, as well as for a wider range of temperature. Furthermore, exploiting the concept of quantum typicality, all of our findings are not restricted to mixed states, but are valid for pure initial states as well.

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.

Heat Conductivity of the Heisenberg Spin-1/2 Ladder: From Weak to Strong Breaking of Integrability.

We investigate the heat conductivity κ of the Heisenberg spin-1/2 ladder at finite temperature covering the entire range of interchain coupling J(⊥), by using several numerical methods and perturbation theory within the framework of linear response. We unveil that a perturbative prediction κ∝J(⊥)(-2), based on simple golden-rule arguments and valid in the strict limit J(⊥)→0, applies to a remarkably wide range of J(⊥), qualitatively and quantitatively. In the large J(⊥) limit, we show power-law scaling of opposite nature, namely, κ∝J(⊥)(2). Moreover, we demonstrate the weak and strong coupling regimes to be connected by a broad minimum, slightly below the isotropic point at J(⊥)=J(∥). Reducing temperature T, starting from T=∞, this minimum scales as κ∝T(-2) down to T on the order of the exchange coupling constant. These results provide for a comprehensive picture of κ(J(⊥),T) of spin ladders.

Relevance of the eigenstate thermalization hypothesis for thermal relaxation.

We study the validity of the eigenstate thermalization hypothesis (ETH) and its role for the occurrence of initial-state independent (ISI) equilibration in closed quantum many-body systems. Using the concept of dynamical typicality, we present an extensive numerical analysis of energy exchange in integrable and nonintegrable spin-1/2 systems of large size outside the range of exact diagonalization. In the case of nonintegrable systems, our finite-size scaling shows that the ETH becomes valid in the thermodynamic limit and can serve as the underlying mechanism for ISI equilibration. In the case of integrable systems, however, indication of ISI equilibration has been observed despite the violation of the ETH. We establish a connection between this observation and the need of choosing a proper parameter within the ETH.

Entropy increase in K-step Markovian and consistent dynamics of closed quantum systems.

We consider sequences of measurements implemented by positive operator valued measures (POVMs). Starting from the assumption that these sequences may be described as consistent and Markovian, even and especially for closed quantum systems, we identify properties of the equilibrium state that coincide with the properties of typical pure quantum states. We define a physical entropy that converges against the standard entropies in the approach to equilibrium. Furthermore, strict limits to its possible decrease are derived on the basis of Renyi entropies. It is demonstrated that Landauer's principle follows directly from these limits. Since the above assumptions are rather strong, we exemplify the fact that they may nevertheless apply by checking them numerically for some transition paths in a concrete model.

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.

Decay of currents for strong interactions.

The decay of current autocorrelation functions is investigated for quantum systems featuring strong interactions. Here the term "interaction" refers to that part of the Hamiltonian causing the (major) decay of the current. On the time scale before the (first) zero crossing of the current, its relaxation is shown to be well described by a suitable perturbation theory in the lowest orders of the interaction strength, particularly if interactions are strong. In this description the relaxation is found to be rather close to a Gaussian decay and the resulting diffusion coefficient approximately scales with the inverse interaction strength. These findings are confirmed by numerical results from exact diagonalization for several one-dimensional transport models including spin transport in the Heisenberg chain with respect to different spin quantum numbers, anisotropy, next-nearest-neighbor interaction, or alternating magnetic field; energy transport in the Ising chain with tilted magnetic field; and transport of excitations in a randomly coupled modular quantum system. The impact of these results for weak interactions is discussed.

Coherent spin-current oscillations in transverse magnetic fields.

We address the coherence of the dynamics of spin-currents with components transverse to an external magnetic field for the spin-1/2 Heisenberg chain. We study current autocorrelations at finite temperatures and the real-time dynamics of currents at zero temperature. Besides a coherent Larmor oscillation, we find an additional collective oscillation at higher frequencies, emerging as a coherent many-magnon effect at low temperatures. Using numerical and analytical methods, we analyze the oscillation frequency and decay time of this coherent current-mode versus temperature and magnetic field.

Spin transport in the XXZ chain at finite temperature and momentum.

We investigate the role of momentum for the transport of magnetization in the spin-1/2 Heisenberg chain above the isotropic point at finite temperature and momentum. Using numerical and analytical approaches, we analyze the autocorrelations of density and current and observe a finite region of the Brillouin zone with diffusive dynamics below a cutoff momentum, and a diffusion constant independent of momentum and time, which scales inversely with anisotropy. Lowering the temperature over a wide range, starting from infinity, the diffusion constant is found to increase strongly while the cutoff momentum for diffusion decreases. Above the cutoff momentum diffusion breaks down completely.

Projection-operator approach to master equations for coarse-grained occupation numbers in nonideal quantum gases.

We aim at deriving an equation of motion for specific sums of momentum mode occupation numbers from models for electrons in periodic lattices experiencing elastic scattering, electron-phonon scattering, or electron-electron scattering. These sums correspond to "grains" in momentum space. This equation of motion is supposed to involve only a moderate number of dynamical variables and/or exhibit a sufficiently simple structure such that neither its construction nor its analyzation or solution requires substantial numerical effort. To this end we compute, by means of a projection operator technique, a linear(ized) collision term which determines the dynamics of the above grain sums. This collision term results as nonsingular finite-dimensional rate matrix and may thus be inverted regardless of any symmetry of the underlying model. This facilitates calculations of, e.g., transport coefficients, as we demonstrate for a three-dimensional Anderson model featuring weak disorder.

Projection operator approach to spin diffusion in the anisotropic Heisenberg chain at high temperatures.

Spin transport in the anisotropic Heisenberg chain is typically investigated theoretically with respect to the finiteness of transport coefficients only. Assuming their finiteness at high temperatures, we develop a concrete quantitative picture of the diffusion constant/(dc-)conductivity as a function of both the anisotropy parameter Δ and the spin quantum number s, going beyond the most commonly considered case s=1/2. Using this picture, we enable the comparison of finite transport coefficients from complementary theoretical methods on a quantitative level, having more significance than the finiteness alone. Our method is essentially based on an application of the time-convolutionless projection operator technique to current autocorrelations. This technique, although being a perturbation theory in Δ, is found to be applicable, even if Δ is not small. This finding supports the applicability to a wider class of strongly interacting many-particle quantum systems.

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.