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arXiv:2406.05399

High-precision simulation of finite-size thermalizing systems at long times

Yichen Huang

Published Jun 8, 2024• 0 citations
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Abstract

To simulate thermalizing systems at long times, the most straightforward approach is to calculate the thermal properties at the corresponding energy. In a quantum many-body system of size $N$, for local observables and many initial states, this approach has an error of $O(1/N)$, which is reminiscent of the finite-size error of the equivalence of ensembles. In this paper, we propose a simple and efficient numerical method so that the simulation error is of higher order in $1/N$. This finite-size error scaling is proved by assuming the eigenstate thermalization hypothesis.

DOI
10.48550/arxiv.2406.05399

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To simulate thermalizing systems at long times, the most straightforward approach is to calculate the thermal properties at the corresponding energy. In a quantum many-body system of size NNN, for local observables and many initial states, this approach has an error of O(1/N)O(1/N)O(1/N), which is reminiscent of the finite-size error of the equivalence of ensembles. In this paper, we propose a simple and efficient numerical method so that the simulation error is of higher order in 1/N1/N1/N. This finite-size error scaling is proved by assuming the eigenstate thermalization hypothesis.
Despite the unitary evolution of closed quantum systems, long-time expectation of local observables are well described by thermal ensembles, providing the foundation of quantum statistical mechanics. A promising route to understanding this quantum thermalization is the eigenstate thermalization hypothesis (ETH), which posits that individual energy eigenstates already appear locally thermal. Subsequent studies have extended this concept to the full ETH, which captures higher-order correlations among matrix elements through nontrivial relations. In this work, we perform a detailed exact-diagonalization study of finite-size corrections to these relations in the canonical ensemble. We distinguish two distinct sources of corrections: those arising from energy fluctuations, which decay polynomially with system size, and those originating from fluctuations within each energy window, which decay exponentially with system size. In particular, our analysis resolves the puzzle that, for certain observables, finite-size corrections exhibit anomalous growth with increasing system size even in chaotic systems. Our results provide a systematic and practical methodology for validating the full ETH in quantum many-body systems.
Using a Krylov-subspace time evolution algorithm, we simulate the real-time dynamics of translation invariant non-integrable finite spin rings to quite long times with high accuracy. We systematically study the finite-size deviation between the resulting equilibrium state and the thermal state, and we highlight the importance of the energy variance on the deviations. We find that the deviations are well described by the eigenstate thermalization hypothesis, and that the von Neumann entropy correction scaling is the square of the local operator scaling. We reveal also an area law contribution to the relaxed von Neumann entropy, which we connect to the mutual information between the considered subsystem and its immediate environment. We also find that local observables relax towards equilibrium exponentially with a relaxation time scale that grows linearly with system length and is somewhat independent of the local operator, but depends strongly on the energy of the initial state, with the fastest relaxation times found towards one end of the overall energy spectrum. To contrast this behaviour we also study domain wall initial states, which exhibit clear diffusive behaviour, with a Thouless time scaling quadratically with the systems size, leading to a rather precise estimate for the diffusion constant for states in the vicinity of the middle of the energy spectrum.
A plausible mechanism of thermalization in isolated quantum systems is based on the strong version of the eigenstate thermalization hypothesis (ETH), which states that all the energy eigenstates in the microcanonical energy shell have thermal properties. We numerically investigate the ETH by focusing on the large deviation property, which directly evaluates the ratio of athermal energy eigenstates in the energy shell. As a consequence, we have systematically confirmed that the strong ETH is indeed true even for near-integrable systems. Furthermore, we found that the finite-size scaling of the ratio of athermal eigenstates is a double exponential for nonintegrable systems. Our result illuminates the universal behavior of quantum chaos, and suggests that a large deviation analysis would serve as a powerful method to investigate thermalization in the presence of the large finite-size effect.
The canonical ensemble plays a crucial role in statistical mechanics in and out of equilibrium. For example, the standard derivation of the fluctuation theorem relies on the assumption that the initial state of the heat bath is the canonical ensemble. On the other hand, the recent progress in the foundation of statistical mechanics has revealed that a thermal equilibrium state is not necessarily described by the canonical ensemble but can be a quantum pure state or even a single energy eigenstate, as formulated by the eigenstate thermalization hypothesis (ETH). Then a question raised is how these two pictures, the canonical ensemble and a single energy eigenstate as a thermal equilibrium state, are compatible in the fluctuation theorem. In this paper, we theoretically and numerically show that the fluctuation theorem holds in both of the long- and short-time regimes, even when the initial state of the bath is a single energy eigenstate of a many-body system. Our proof of the fluctuation theorem in the long-time regime is based on the ETH, while it was previously shown in the short-time regime on the basis of the Lieb-Robinson bound and the ETH [Phys. Rev. Lett. 119, 100601 (2017)0031-900710.1103/PhysRevLett.119.100601]. The proofs for these time regimes are theoretically independent and complementary, implying the fluctuation theorem in the entire time domain. We also perform a systematic numerical simulation of hard-core bosons by exact diagonalization and verify the fluctuation theorem in both of the time regimes by focusing on the finite-size scaling. Our results contribute to the understanding of the mechanism that the fluctuation theorem emerges from unitary dynamics of quantum many-body systems and can be tested by experiments with, e.g., ultracold atoms.
We review some recent developments in the statistical mechanics of isolated quantum systems. We provide a brief introduction to quantum thermalization, paying particular attention to the eigenstate thermalization hypothesis (ETH) and the resulting single-eigenstate statistical mechanics. We then focus on a class of systems that fail to quantum thermalize and whose eigenstates violate the ETH: These are the many-body Anderson-localized systems; their long-time properties are not captured by the conventional ensembles of quantum statistical mechanics. These systems can forever locally remember information about their local initial conditions and are thus of interest for possibilities of storing quantum information. We discuss key features of many-body localization (MBL) and review a phenomenology of the MBL phase. Single-eigenstate statistical mechanics within the MBL phase reveal dynamically stable ordered phases, and phase transitions among them, that are invisible to equilibrium statistical mechanics and can occur at high energy and low spatial dimensionality, where equilibrium ordering is forbidden.
One of the main questions of research on quantum many-body systems following unitary out of equilibrium dynamics is to find out how local expectation values equilibrate in time. For non-interacting models, this question is rather well understood. However, the best known bounds for general quantum systems are vastly crude, scaling unfavorable with the system size. Nevertheless, empirical and numerical evidence suggests that for generic interacting many-body systems, generic local observables, and sufficiently well-behaved states, the equilibration time does not depend strongly on the system size, but only the precision with which this occurs does. In this discussion paper, we aim at giving very simple and plausible arguments for why this happens. While our discussion does not yield rigorous results about equilibration time scales, we believe that it helps to clarify the essential underlying mechanisms, the intuition and important figure of merits behind equilibration. We then connect our arguments to common assumptions and numerical results in the field of equilibration and thermalization of closed quantum systems, such as the eigenstate thermalization hypothesis as well as rigorous results on interacting quantum many-body systems. Finally, we complement our discussions with numerical results - both in the case of examples and counter-examples of equilibrating systems.