arXiv:2312.11746 · Physical review. B./Physical review. B
Disentangling the physics of the attractive Hubbard model as a fully interacting model of fermions via the accessible and symmetry-resolved entanglement entropies
Tong Shen, Hatem Barghathi, Adrian Del Maestro, Brenda M. Rubenstein
The complicated ways in which electrons interact in many-body systems such as molecules and materials have long been viewed through the lens of local electron correlation and associated correlation functions. However, quantum information science has demonstrated that more global diagnostics of quantum states like the entanglement entropy can provide a complementary and clarifying lens on electronic behavior. One particularly useful measure that can be used to distinguish between quantum and classical sources of entanglement is the accessible entanglement, the entanglement available as a quantum resource for systems subject to conservation laws, such as fixed particle number, due to superselection rules. In this work, we introduce an algorithm and demonstrate how to compute accessible and symmetry-resolved entanglements for interacting fermion systems. This is accomplished by combining an incremental version of the swap algorithm with a recursive auxiliary field quantum Monte Carlo algorithm recently developed by the authors. We apply these tools to study the pairing and charge density waves exhibited in the paradigmatic attractive Hubbard model via entanglement. We find that the particle and spin symmetry-resolved entanglements and their related full probability distribution functions show very clear---and unique---signatures of the underlying electronic behavior even when those features are less pronounced in conventional correlation functions. Overall, this work provides a systematic means of characterizing the entanglement within quantum systems that can grant a deeper understanding of the complicated electronic behavior that underlies quantum phase transitions and crossovers in many-body systems.
The complicated ways in which electrons interact in many-body systems such as molecules and materials have long been viewed through the lens of local electron correlation and associated correlation functions. However, quantum information science has demonstrated that more global diagnostics of quantum states like the entanglement entropy can provide a complementary and clarifying lens on electronic behavior. One particularly useful measure that can be used to distinguish between quantum and classical sources of entanglement is the accessible entanglement, the entanglement available as a quantum resource for systems subject to conservation laws, such as fixed particle number, due to superselection rules. In this work, we introduce an algorithm and demonstrate how to compute accessible and symmetry-resolved entanglements for interacting fermion systems. This is accomplished by combining an incremental version of the swap algorithm with a recursive auxiliary field quantum Monte Carlo algorithm recently developed by the authors. We apply these tools to study the pairing and charge density waves exhibited in the paradigmatic attractive Hubbard model via entanglement. We find that the particle and spin symmetry-resolved entanglements and their related full probability distribution functions show very clear---and unique---signatures of the underlying electronic behavior even when those features are less pronounced in conventional correlation functions. Overall, this work provides a systematic means of characterizing the entanglement within quantum systems that can grant a deeper understanding of the complicated electronic behavior that underlies quantum phase transitions and crossovers in many-body systems.
For indistinguishable itinerant particles subject to a superselection rule fixing their total number, a portion of the entanglement entropy under a spatial bipartition of the ground state is due to particle fluctuations between subsystems and thus is inaccessible as a resource for quantum information processing. We quantify the remaining operationally accessible entanglement in a model of interacting spinless fermions on a one-dimensional lattice via exact diagonalization and the density matrix renormalization group. We find that the accessible entanglement exactly vanishes at the first-order phase transition between a Tomonaga-Luttinger liquid and phase separated solid for attractive interactions and is maximal at the transition to the charge density wave for repulsive interactions. Throughout the phase diagram, we discuss the connection between the accessible entanglement entropy and the variance of the probability distribution describing intrasubregion particle-number fluctuations.
The entanglement entropy probing novel phases and phase transitions numerically via quantum Monte Carlo has made great achievements in large-scale interacting spin/boson systems. In contrast, the numerical exploration in interacting fermion systems is rare, even though fermion systems attract more attentions in condensed matter. The fundamental restrictions is that the computational cost of fermion quantum Monte Carlo (∼βN3) is much higher than that of spin/boson (∼βN). Here, N is the total number of sites and β is the inverse temperature or projection length. To tackle this problem, we propose a fermionic quantum Monte Carlo algorithm based on the incremental technique along physical parameters, which greatly improves the efficiency of extracting entanglement entropy. We benchmark the developed algorithm by calculating the scaling behavior of the entanglement entropy in a two-dimensional square lattice Hubbard model. The obtained phase diagram including Fermi surface and Goldstone modes validates the correctness of the algorithm. Remarkably, our method shows the high-efficiency with respect to the existing algorithms, while keeping the high computation precision. We proceed to apply this algorithm to explore the scaling behavior of the entanglement entropy and particularly its derivative at Gross-Neveu criticality. Our results elucidate that such critical behavior can be quantified by the correlation length exponent.
Recent advances in the field of strongly correlated electron systems allow to access the entanglement properties of interacting fermionic models, by means of Monte Carlo simulations. We briefly review the techniques used in this context to determine the entanglement entropies and correlations of the entanglement Hamiltonian. We further apply these methods to compute the spin two-point function of entanglement Hamiltonian for a stripe embedded into a correlated topological insulator. Further we discuss a recent method that allows an unbiased, numerically exact, direct determination of the entanglement Hamiltonian by means of auxiliary field quantum Monte Carlo simulations.
There is no doubt that the information hidden in entanglement entropy (EE), for example, the nth order R\'enyi EE, i.e., ${S}_{n}^{A}=\frac{1}{1\ensuremath{-}n}ln\mathrm{Tr}({\ensuremath{\rho}}_{A}^{n})$, where ${\ensuremath{\rho}}_{A}={\mathrm{Tr}}_{\overline{A}}\ensuremath{\rho}$ is the reduced density matrix, can be used to infer the organizing principle of two-dimensional (2D) interacting fermion systems, ranging from spontaneous symmetry-breaking phases and quantum critical points to topologically ordered states. It is far from clear, however, whether EE can be obtained with the precision required to observe these fundamental features---usually in the form of universal finite-sized scaling behavior. Even for the prototypical 2D interacting fermion model---the Hubbard model---to all existing numerical algorithms, the computation of EE has not been successful with reliable data from which the universal scaling regime can be accessed. Here, we explain the reason for these unsuccessful attempts of EE computations in quantum Monte Carlo simulations in the past decades and, more importantly, show how to overcome the conceptual and computational barrier with the incremental algorithm, such that the stable computation of EE in 2D interacting fermion systems can be achieved and universal scaling information can be extracted. Relevance toward experimental 2D interacting fermion systems is discussed.
A, by now, well-known signal-to-noise problem plagues Monte Carlo calculations of quantum-information-theoretic observables in systems of interacting fermions, particularly the Renyi entanglement entropies Sn, even in many cases where the infamous sign problem does not appear. Several methods have been put forward to circumvent this affliction including ensemble-switching techniques using auxiliary partition-function ratios. This dissertation presents an algorithm that modifies the recently proposed free-fermion decomposition in an essential way: we incorporate the entanglement-sensitive correlations directly into the probability measure in a natural way. Implementing this algorithm, we demonstrate that it is compatible with the hybrid Monte Carlo algorithm, the workhorse of the lattice quantum chromodynamics community and an essential tool for studying gauge theories that contain dynamical fermions. By studying a simple one-dimensional Hubbard model, we demonstrate that our method does not exhibit the same debilitating numerical difficulties that naive attempts to study entanglement often encounter. Following that, we illustrate some key probabilistic insights, using intuition derived from the previous method and its successes to construct a simpler, better behaved, and more elegant algorithm. Using this method, in combination with new identities which allow us to avoid seemingly necessary numerical difficulties, the inversion of the restricted one-body density matrices, we compute high order Renyi entropies and perform a thorough comparison to this new algorithm's predecessor using the Hubbard model mentioned before. Finally, we characterize non-perturbatively the Renyi entropies of degree n=2,3,4, and 5 of three-dimensional, strongly coupled many-fermion systems in the scale-invariant regime of short interaction range and large scattering length, i.e. in the unitary limit using the algorithms detailed herein. We also detail an exact, few-body projective method which we use to characterize the entanglement properties of the two-body sector across a broad range of attractive couplings. In the many-body case, we determine universal scaling properties of this system, and for the two-body case, we compute the entanglement spectrum exactly, successfully characterizing a vast range of entanglement behavior across the BCS-BEC crossover.
In order to identify intrinsic quantum resources in strongly interacting fermionic systems, we introduce a symmetry resolution of the parity-superselected two-site entanglement, as measured by both the fermionic negativity and the relative entropy of entanglement. We discuss how the symmetry resolution can be extended also to the full entanglement in pure and mixed two-site states. We apply our recipe to the Hubbard model, first for a dimer, and then for a plaquette cluster dynamical mean-field theory, an established method tailored to accurately capture short-range correlations. Following the evolution of the model through the interaction- and density-driven Mott transitions at zero temperature, we highlight how the three symmetry-resolved components of the two-site entanglement probe different key aspects of Mott and pseudogap physics.