For an isolated generic quantum system out of equilibrium, the long time average of observables is given by the diagonal ensemble, i.e., the mixed state with the same probability for energy eigenstates as the initial state but without coherences between different energies. In this work we present a method to approximate the diagonal ensemble using tensor networks. Instead of simulating the real time evolution, we adapt a filtering scheme introduced earlier [M. C. Ba\~nuls, D. A. Huse, and J. I. Cirac, Phys. Rev. B 101, 144305 (2020)] to this problem. We analyze the performance of the method on a nonintegrable spin chain, for which we observe that local observables converge towards thermal values polynomially with the inverse width of the filter.
For an isolated generic quantum system out of equilibrium, the long time average of observables is given by the diagonal ensemble, i.e., the mixed state with the same probability for energy eigenstates as the initial state but without coherences between different energies. In this work we present a method to approximate the diagonal ensemble using tensor networks. Instead of simulating the real time evolution, we adapt a filtering scheme introduced earlier [M. C. Ba~nuls, D. A. Huse, and J. I. Cirac, Phys. Rev. B 101, 144305 (2020)] to this problem. We analyze the performance of the method on a nonintegrable spin chain, for which we observe that local observables converge towards thermal values polynomially with the inverse width of the filter.
Energy filter methods in combination with quantum simulation can efficiently access the properties of quantum many-body systems at finite energy densities [S. Lu , ]. Classically simulating this algorithm with tensor networks can be used to investigate the microcanonical properties of large spin chains, as recently shown by Y. Yang []. Here we extend this strategy to explore the properties of off-diagonal matrix elements of observables in the energy eigenbasis, fundamentally connected to the thermalization behavior and the eigenstate thermalization hypothesis. We test the method on integrable and nonintegrable spin chains of up to 60 sites, much larger than accessible with exact diagonalization. Our results allow us to explore the scaling of the off-diagonal functions with the size and energy difference, and to establish quantitative differences between integrable and nonintegrable cases. Published by the American Physical Society 2024
In the time evolution of isolated quantum systems out of equilibrium, local observables generally relax to a long-time asymptotic value, governed by the expectation values (diagonal matrix elements) of the corresponding operator in the eigenstates of the system. The temporal fluctuations around this value, response to further perturbations, and the relaxation toward this asymptotic value are all determined by the off-diagonal matrix elements. Motivated by this nonequilibrium role, we present generic statistical properties of off-diagonal matrix elements of local observables in two families of interacting many-body systems with local interactions. Since integrability (or lack thereof) is an important ingredient in the relaxation process, we analyze models that can be continuously tuned to integrability. We show that, for generic nonintegrable systems, the distribution of off-diagonal matrix elements is a Gaussian centered at zero. As one approaches integrability, the peak around zero becomes sharper, so the distribution is approximately a combination of two Gaussians. We characterize the proximity to integrability through the deviation of this distribution from a Gaussian shape. We also determine the scaling dependence on system size of the average magnitude of off-diagonal matrix elements.
Tensor-network methods are routinely used in approximating various equilibrium and nonequilibrium scenarios, with the algorithms requiring a small bond dimension at low enough time or inverse temperature.These approaches so far lacked a rigorous mathematical justification, since existing approximations to thermal states and time evolution demand a bond dimension growing with system size.To address this problem, we construct projected entangled-pair operators that approximate, for all local observables, (i) their thermal expectation values and (ii) their Heisenberg time evolution.The bond dimension required does not depend on system size, but only on the temperature or time.We also show how these can be used to approximate thermal correlation functions and expectation values in quantum quenches.
A very fundamental problem in quantum statistical mechanics involves whether—and how—an isolated quantum system will reach thermal equilibrium after waiting a long time. In quantum systems that do thermalize, the long-time expectation value of any “reasonable” operator will match its predicted value in the canonical ensemble. The Eigenstate Thermalization Hypothesis (ETH) posits that this thermalization occurs at the level of each individual energy eigenstate; in fact, any single eigenstate in a microcanonical energy window will predict the expectation values of such operators exactly. In the first part of this dissertation, we identify, for a generic model system, precisely which operators satisfy ETH, as well as limits to the information contained in a single eigenstate. Remarkably, our results strongly suggest that a single eigenstate can contain information about energy densities—and therefore temperatures—far away from the energy density of the eigenstate.Additionally, we study the possible breakdown of quantum thermalization in a model of itinerant electrons on a one-dimensional chain, with both spin and charge degrees of freedom. This model exhibits peculiar properties in the entanglement entropy, the apparent scaling of which is modified from a “volume law” to an “area law” after performing a partial, site-wise measurement on the system. These properties and others suggest that this model realizes a new, non-thermal phase of matter, known as a Quantum Disentangled Liquid (QDL). The putative existence of this phase has striking implications for the foundations of quantum statistical mechanics.
When a nonintegrable system evolves out of equilibrium for a long time, local observables are in general expected to attain stationary expectation values, independent of the details of the initial state. But the thermalization of a closed quantum system is not yet well understood. Here we show that it presents indeed a much richer phenomenology than its classical counterpart. Using a new numerical technique, we identify two distinct regimes, strong and weak, occurring for different initial states. Strong thermalization, intrinsically quantum, happens when instantaneous local expectation values converge to the thermal ones. Weak thermalization, well known in classical systems, shows convergence to thermal values only after time averaging. Remarkably, we find a third group of states showing no thermalization, neither strong nor weak, to the time scales one can reliably simulate.
We propose a method to calculate finite-temperature properties of a quantum many-body system for a microcanonical ensemble by introducing a pure quantum state named here an energy-filtered random-phase state, which is also a potentially promising application of near-term quantum computers. In our formalism, a microcanonical ensemble is specified by two parameters, i.e., the energy of the system and its associated energy window. Accordingly, the density of states is expressed as a sum of Gaussians centered at the target energy with its spread corresponding to the width of the energy window. We then show that the thermodynamic quantities such as entropy and temperature are calculated by evaluating the trace of the time-evolution operator and the trace of the time-evolution operator multiplied by the Hamiltonian of the system. We also describe how these traces can be evaluated using random diagonal-unitary circuits appropriate to quantum computation. The pure quantum state representing our microcanonical ensemble is related to a state of the form introduced by Wall and Neuhauser for the filter diagonalization method [M. R. Wall and D. Neuhauser, J. Chem. Phys. 102, 8011 (1995)], and therefore we refer to it as an energy-filtered random-phase state. The energy-filtered random-phase state is essentially a Fourier transform of a time-evolved state whose initial state is prepared as a random-phase state, and the cut-off time in the time-integral for the Fourier transform sets the inverse of the width of the energy window. The proposed method is demonstrated numerically by calculating thermodynamic quantities for the one-dimensional spin-1/2 Heisenberg model on small clusters up to 28 qubits, showing that the method is most efficient for the target energy around which the dense distribution of energy eigenstates is found.