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arXiv:2303.04576 · Physical Review Research

Nonequilibrium correlation dynamics in the one-dimensional Fermi-Hubbard model: A testbed for the two-particle reduced density matrix theory

Stefan Donsa, Fabian Lackner, Joachim Burgdörfer, M. Bönitz, Benedikt Kloss, Ángel Rubio, Iva Březinová

Published Jul 12, 2023• 16 citations
arXivHTMLPDF

Abstract

We explore the nonequilibrium dynamics of a one-dimensional Fermi-Hubbard system as a sensitive testbed for the capabilities of the time-dependent two-particle reduced density matrix (TD2RDM) theory to accurately describe time-dependent correlated systems. We follow the time evolution of the out-of-equilibrium finite-size Fermi-Hubbard model initialized by a quench over extended periods of time. By comparison with exact calculations for small systems and with matrix product state calculations for larger systems but limited to short times, we demonstrate that the TD2RDM theory can accurately account for the nonequilibrium dynamics in the regime from weak to moderately strong interparticle correlations. We find that the quality of the approximate reconstruction of the three-particle cumulant (or correlation) required for the closure of the equations of motion for the reduced density matrix is key to the accuracy of the numerical TD2RDM results. We identify the size of the dynamically induced three-particle correlations and the amplitude of cross correlations between the two- and three-particle cumulants as critical parameters that control the accuracy of the TD2RDM theory when current state-of-the-art reconstruction functionals are employed.

DOI
10.1103/physrevresearch.5.033022

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We explore the nonequilibrium dynamics of a one-dimensional Fermi-Hubbard system as a sensitive testbed for the capabilities of the time-dependent two-particle reduced density matrix (TD2RDM) theory to accurately describe time-dependent correlated systems. We follow the time evolution of the out-of-equilibrium finite-size Fermi-Hubbard model initialized by a quench over extended periods of time. By comparison with exact calculations for small systems and with matrix product state calculations for larger systems but limited to short times, we demonstrate that the TD2RDM theory can accurately account for the nonequilibrium dynamics in the regime from weak to moderately strong interparticle correlations. We find that the quality of the approximate reconstruction of the three-particle cumulant (or correlation) required for the closure of the equations of motion for the reduced density matrix is key to the accuracy of the numerical TD2RDM results. We identify the size of the dynamically induced three-particle correlations and the amplitude of cross correlations between the two- and three-particle cumulants as critical parameters that control the accuracy of the TD2RDM theory when current state-of-the-art reconstruction functionals are employed.
Correlations in many-body quantum states lead to interesting phenomena while at the same time being enormously difficult to describe theoretically. Recent experiments conducted with ultracold atoms in optical lattices allow to explore quantum many-body correlations in a controlled and tunable way. The underlying theoretical model is the single-band Hubbard model. In this thesis we investigate the one-dimensional Hubbard model by applying the newly developed time-dependent two-particle reduced density matrix method. The method is based upon the assumption that three-particle correlations are negligible. We assess this approximation for equilibrium and non-equilibrium states. We show that the method is well suited for weakly interacting and weakly correlated systems.
The study of the interplay between interaction-induced correlations and nonequilibrium initial conditions in many-body systems has recently attracted a lot of attention. New experimental techniques provide high control over many-body systems and systematic access to their nonequilibrium regime. In many systems the nonequilibrium properties of a Fermi liquid can be relevant. A first approach to their understanding is the main content of this thesis. At the beginning, nonequilibrium phenomena, Landau's theory of a Fermi liquid, the Hubbard model, time evolution in quantum mechanics, related experiments, and the flow equation method are reviewed. The key observation of this thesis, namely a characteristic mismatch of expectation values in equilibrium and nonequilibrium, is first illustrated for the squeezed oscillator. For this one-particle model Hamiltonian the perturbative approach can be compared with the exact solution and it is shown that the mismatch holds even beyond perturbation theory. Afterwards these observations are generalized to a larger class of one-particle models. Then the nonequilibrium behavior of a Fermi liquid is examined by analyzing the Fermi liquid phase of the Hubbard model in more than one dimension. After a sudden switch-on of a weak two-particle interaction to the noninteracting Fermi gas the relaxation of the many-body system is observed. For this purpose, the flow equation transformation is implemented for the Hubbard Hamiltonian. Then the discussion of the momentum distribution function and of the kinetic energy displays a three-step relaxation behavior of the Fermi liquid from the initial perturbation until thermalization is reached. Firstly, the sudden switch inserts excitation energy into the system which drives the following dynamics. Then a rapid initial build-up of correlations is caused by initial dephasing and leads to the establishment of a quasiparticle picture. By that the system enters into a quasi-stationary state which can be long-lasting for weak interaction. This state shows prethermalization of the kinetic energy which already has relaxed to its final values. However, the momentum distribution still resembles a zero temperature Fermi liquid. Its later relaxation on a second time scale is caused by a residual two-particle interaction which allows for scattering processes and can be described by a quantum Boltzmann equation. The physical origin of this delayed relaxation can be traced back to an interplay of translational invariance of the Hubbard model and the Pauli principle for fermions; together they restrict the phase space for scattering events. Comparing with similar work I conjecture on the generic nature of the findings made for the quenched Fermi liquid in other many-body systems. Finally I point out to the potential relevance of the delayed relaxation for the observation of further nonequilibrium phenomena, for instance in BCS systems. In order to extend the study of sudden switching to arbitrary switching processes the calculation is repeated using the Keldysh perturbation theory. First evaluations for a linear increase of the interaction strength are given. Extensions of this work are suggested and may motivate further research.
We study dynamical (quasi)condensation in the Fermi-Hubbard model starting from a completely uncorrelated initial state of adjacent doubly occupied sites. We show that upon expansion of the system in one dimension, dynamical (quasi)condensation occurs not only for large interactions via the condensation of doublons, but also for small interactions. The behavior of the system is distinctly different in the two parameter regimes, underlining a different mechanism at work. We address the question of whether the dynamical (quasi)condensation effect persists in the thermodynamic limit. For this purpose, we use the time-dependent two-particle reduced density matrix method, which allows the extension to large system sizes, long propagation times, and two-dimensional (2D) systems. Our results indicate that the effect vanishes in the thermodynamic limit. However, especially in 2D, further investigation beyond numerically tractable system sizes calls for the use of quantum simulators, for which we show that the described effect can be investigated by probing density fluctuations.
We investigate the nonequilibrium relaxation dynamics of the one-dimensional (1D) Fermi-Hubbard model subjected to abrupt, global interaction quenches. Specifically, we benchmark the convergence properties, structural accuracy, and algorithmic breakdown of the Magnus expansion against numerically exact results obtained via full Exact Diagonalization (ED) on small, periodic lattice clusters. By tracking the real-time evolution of local observables, double occupancy (doublon density), and many-body state fidelity metrics, we map out the validity bounds of the low-order Magnus series across weak, moderate, and strong interaction regimes. Our findings demonstrate that while the Magnus expansion provides an exceptionally accurate description of short-time coherent dynamics, rapid phase matching, and initial prethermalization tendencies, its convergence is fundamentally bottlenecked at longer timescales. This breakdown is driven by the rapid growth of multi-particle entanglement, non-local operator spreading via nested commutators, and the emergence of severe state-space fragmentation inherent to dense, strongly interacting many-body spectra.
The real-time dynamics of the Fermi-Hubbard model, driven out of equilibrium by quenching or ramping the interaction parameter, is studied within the framework of the nonequilibrium self-energy functional theory. A dynamical impurity approximation with a single auxiliary bath site is considered as a reference system, and the time-dependent hybridization is optimized as prescribed by the variational principle. The dynamical two-site approximation turns out to be useful to study the real-time dynamics on short and intermediate time scales. Depending on the strength of the interaction in the final state, two qualitatively different response regimes are observed. For both weak and strong couplings, qualitative agreement with previous results of nonequilibrium dynamical mean-field theory is found. The two regimes are sharply separated by a critical point at which the low-energy bath degree of freedom decouples in the course of time. We trace the dependence of the critical interaction of the dynamical Mott transition on the duration of the interaction ramp from sudden quenches to adiabatic dynamics and therewith link the dynamical to the equilibrium Mott transition.
Time-dependent density-functional theory (TDDFT) is a powerful tool in studying the nonequilibrium dynamics of inhomogeneous interacting many-body systems. Here we show that the simple adiabatic local-spin-density approximation for the time-dependent exchange-correlation potential is surprisingly accurate in describing collective density and spin dynamics in strongly correlated one-dimensional ultracold Fermi gases. Our conclusions are based on extensive comparisons between our TDDFT results and accurate results based on the adaptive time-dependent density-matrix renormalization-group method.