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Saudi Journal of Engineering and Technology

Benchmarking the Magnus Expansion for Interaction Quenches in the Fermi-Hubbard Model: Exact Diagonalization on Small Clusters

Laraib-Ul- Nissa, Muhammad Abdullah, Waqar Yousaf

Published Jun 11, 2026• 0 citations
Publisher

Abstract

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.

DOI
10.36348/sjet.2026.v11i06.003

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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 Magnus expansion is attractive for periodically driven quantum systems because every finite truncation exponentiates an anti-Hermitian generator and therefore preserves unitarity. Its practical failure in interacting fermionic systems is nevertheless subtle: a low-order approximation may remain unitary while becoming progressively less accurate as additional terms are retained. We establish order-resolved breakdown signatures for a half-filled, periodically driven one-dimensional Fermi-Hubbard chain. The one-period propagator is computed numerically exactly in the fixed-particle sector and compared with Magnus approximants through fourth order. Failure is defined operationally by a successive-order error ratio (rₙ=εₙ/εₙ₋₁≥ 1), not by an unsupported claim of divergence of the infinite series. Across a raw (9×29) interaction-frequency grid ((U/J=0…,8), (ω/J=2…,16)), at least one added order loses improvement at 36.40% of the 261 sampled points. The smallest sampled frequency above which all retained orders improve throughout the remaining high-frequency tail rises from (ω/J=2.5) at (U=0) to (11.5) at (U/J=8). At (U/J=4), the highest (r₄=1) crossing occurs at (ω/J=7.719), followed by a monotone sampled tail from (ω/J=8). High-frequency error exponents approach the expected omitted-order scaling. A norm-based convergence certificate is consistently more conservative than the observed finite-order boundary. These results show that Magnus breakdown in the Hubbard model is order dependent, interaction shifted, and detectable before unitarity is lost.
Motivated by recent experiments, we study the relaxation dynamics and thermalization in the one-dimensional Bose-Hubbard model induced by a global interaction quench. Specifically, we start from an initial state that has exactly one boson per site and is the ground state of a system with infinitely strong repulsive interactions at unit filling. Using exact diagonalization and the density-matrix renormalization-group method, we compute the time dependence of such observables as the multiple occupancy and the momentum distribution function. Typically, the relaxation to stationary values occurs over just a few tunneling times. The stationary values are identical to the so-called diagonal ensemble on the system sizes accessible to our numerical methods and we further observe that the microcanonical ensemble describes the time averages of many observables reasonably well for small and intermediate interaction strength. The expectation values of observables in the canonical ensemble agree quantitatively with the time averages obtained from the quench at small interaction strengths, and qualitatively provide a good description even in parameter regimes where the microcanonical ensemble is not applicable due to finite-size effects. We discuss our numerical results in the framework of the eigenstate thermalization hypothesis. Moreover, we also observe that the diagonal and the canonical ensembles are practically identical for our initial conditions already on the level of their respective energy distributions for small interaction strengths. Finally, we discuss implications of our results for the interpretation of a recent sudden expansion experiment [Phys. Rev. Lett. 110, 205301 (2013)], in which the same interaction quench was realized.
Quantum simulators have made a remarkable progress towards exploring the dynamics of many-body systems, many of which offer a formidable challenge to both theoretical and numerical methods.While state-of-the-art quantum simulators are, in principle, able to simulate quantum dynamics well outside the domain of classical computers, they are noisy and limited in the variability of the initial state of the dynamics and the observables that can be measured.Despite these limitations, here we show that such a quantum simulator can be used to in effect solve for the dynamics of a many-body system.We develop an efficient numerical technique that facilitates classical simulations in regimes not accessible to exact calculations or other established numerical techniques.The method is based on approximations that are well suited to describe localized one-dimensional Fermi-Hubbard systems.Since this new method does not have an error estimate and the approximations do not hold in general, we use a neutral-atom Fermi-Hubbard quantum simulator with L exp 290 lattice sites to benchmark its performance in terms of accuracy and convergence for evolution times up to 700 tunneling times.We then use these approximations in order to derive a simple prediction of the behavior of interacting Bloch oscillations for spin-imbalanced Fermi-Hubbard systems, which we show to be in quantitative agreement with experimental results.Finally, we demonstrate that the convergence of our method is the slowest when the entanglement depth developed in the many-body system we consider is neither too small nor too large.This represents a promising regime for near-term applications of quantum simulators.
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.
The study of quantum dynamics is an increasingly important aspect of atomic, molecular and optical physics, as well as condensed-matter physics and other disciplines. It is essential in order to understand non-equilibrium phenomena which do not fit within the framework of equilibrium thermodynamics, such as many-body localization, dynamical quantum phase transitions, and non-equilibrium steady states in driven-dissipative systems. However, the exact calculation of dynamical observables is extremely difficult in general for several reasons, which makes it challenging for theoretical predictions and analyses to keep pace with rapidly advancing experiments. In this thesis I use and develop several computational methods to investigate the dynamics of quantum many-body systems, with the two goals of better understanding the evolution of local observables and correlation functions in spin and Fermion systems as well as creating and testing more effective numerical methods for solving quantum dynamics problems. I explore quantum dynamics by using Hamiltonian parameter quenches in several commonly-used models in AMO physics and elsewhere: the Fermi-Hubbard model, the XXZ model, and the transverse-Ising model. The first represents a system of short-range interacting Fermions, while the latter two represent spin systems with different spin-spin couplings and magnetic field terms. All of these models can be realized in current experiments. First, I derive an exact solution for an extreme interaction quench in the Fermi-Hubbard model, from a strongly-interacting initial state to a noninteracting final Hamiltonian. From this result I show that there are nontrivial transient connected correlations, despite the fact that the system has very high temperature and a noninteracting Hamiltonian. Those features would suppress such correlations in equilibrium, but the dynamical correlations are still significant. Then, I develop and examine two numerical methods for solving dynamics of the spin expectation values and correlation functions in the transverse-Ising and XXZ models. Both methods rely on approximating a thermodynamically large system with a much smaller and more computationally tractable cluster of lattice sites, or a series of clusters. The first method is a dynamical numerical linked cluster expansion (NLCE). NLCEs have already been used successfully on systems in thermodynamic equilibrium, and I extended the technique to directly compute the dynamics of an observable after a quantum quench. I review the general NLCE method, describe my dynamical variant of it, and compute the quench dynamics of spin and correlation observables in the transverse-Ising and XXZ models. The second method, which I term the adaptive-boundary cluster method, relies on recently refined bounds on information propagation in quantum systems to choose a cluster of lattice sites that minimizes the finite size error bound of a dynamical computation. I briefly review these bounds, and describe a new algorithm which uses them to construct a cluster whose boundary is chosen according to a related error estimate. Such an adaptive-boundary cluster has the property that there exists a computable upper bound on the finite size error of observables measured at the cluster center, and this error bound is nearly minimal when compared to that of other clusters of the same size. I then compute the quench dynamics of spin and correlation observables in the transverse-Ising model using the adaptive boundary clusters. I apply this method to both uniform and strongly disordered systems. To evaluate the effectiveness of both dynamical NLCE and adaptive-boundary clusters, I compare the results obtained using them to results from a standard and general purpose numerical method: exact solvers applied a rectangular cluster with periodic boundary conditions. Both of the new methods usually converge faster and are more accurate than the standard method for comparable cluster sizes. This thesis illustrates that choosing numerical methods which take advantage of the geometric and entanglement structure of the initial state and Hamiltonian can substantially enhance our ability to study quantum dynamics, by reducing the computational cost of numerically exact solutions. I conclude with a discussion of various avenues for future research to build on this work.
Thermalization in strongly correlated fermionic systems remains a central open problem in quantum many-body physics. In this work, we investigate the real-time dynamics and the approach to thermalization in the two-dimensional Hubbard model, a paradigmatic framework for correlated electrons, relevant to high-temperature superconductivity and ultracold quantum simulation. Focusing on the half-filled square lattice, we monitor the time evolution of the double occupancy following a quench in the on-site interaction UUU, and assess whether its long-time value is captured by a canonical thermal ensemble. We employ time-dependent variational Monte Carlo methods combined with transformer-based Neural-Network Quantum States to accurately describe the nonequilibrium dynamics of fermions, especially for the behavior at long times, thereby accessing regimes that were previously inaccessible to numerical simulations. Our results reveal two dynamical behaviors: for weak to intermediate interactions, the double occupancy rapidly approaches the thermal prediction, consistent with ergodic evolution; beyond a critical interaction UCU_{C}UC​, the dynamics remains distinct from the thermal expectation on the timescales investigated, revealing signatures of a prethermal plateau delaying fast relaxation. These results establish numerical simulation as a powerful tool to probe nonequilibrium quantum phenomena in correlated fermionic matter.