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Aspects of Strongly Correlated Many-Body Fermi Systems

William J. Porter

Published Aug 12, 2019• 0 citations
Publisher

Abstract

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.

DOI
10.17615/2n3q-7y62

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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.
The Monte Carlo calculation of R\'enyi entanglement entropies Sn{S}_{n}^{}Sn​ of interacting fermions suffers from a well-known signal-to-noise problem, even for a large number of situations in which the infamous sign problem is absent. A few methods have been proposed to overcome this issue, such as ensemble switching and the use of auxiliary partition-function ratios. Here, we present an approach that builds on the recently proposed free-fermion decomposition method; it incorporates entanglement in the probability measure in a natural way; it takes advantage of the hybrid Monte Carlo algorithm (an essential tool in lattice quantum chromodynamics and other gauge theories with dynamical fermions); and it does not suffer from noise problems. This method displays no sign problem for the same cases as other approaches and is therefore useful for a wide variety of systems. As a proof of principle, we calculate S2{S}_{2}^{}S2​ for the one-dimensional, half-filled Hubbard model and compare with results from exact diagonalization and the free-fermion decomposition method.
We put forward a simpler and improved variation of a recently proposed method to overcome the signal-to-noise problem found in Monte Carlo calculations of the entanglement entropy of interacting fermions. The present method takes advantage of the approximate log-normal distributions that characterize the signal-to-noise properties of other approaches. In addition, we show that a simple rewriting of the formalism allows circumvention of the inversion of the restricted one-body density matrix in the calculation of the nth Rényi entanglement entropy for n>2. We test our technique by implementing it in combination with the hybrid Monte Carlo algorithm and calculating the n=2,3,4,⋯,10 Rényi entropies of the one-dimensional attractive Hubbard model. We use that data to extrapolate to the von Neumann (n=1) and n→∞ cases.
Entanglement measures such as the entanglement entropy have become an indispensable tool to identify the fundamental character of ground states of interacting quantum many-body systems. For systems of interacting spin or bosonic degrees of freedom much recent progress has been made not only in the analytical description of their respective entanglement entropies but also in their numerical classification. Systems of interacting fermionic degrees of freedom, however, have proved to be more difficult to control, in particular with regard to the numerical understanding of their entanglement properties. Here we report a generalization of the replica technique for the calculation of Rényi entropies to the framework of determinantal Quantum Monte Carlo simulations—the numerical method of choice for unbiased, large-scale simulations of interacting fermionic systems. We demonstrate the strength of this approach over a recent alternative proposal based on a decomposition in free fermion Green's functions by studying the entanglement entropy of one-dimensional Hubbard systems both at zero and finite temperatures.
We characterize nonperturbatively the R\'enyi entropies of degree n=2,3,4n=2,\phantom{\rule{0.28em}{0ex}}3,\phantom{\rule{0.28em}{0ex}}4n=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. We carry out our calculations using lattice methods devised recently by us. Our results show the effect of strong pairing correlations on the entanglement entropy, which modify the subleading behavior for large subsystem sizes (as characterized by the dimensionless parameter x=kFLAx={k}_{F}{L}_{A}x=kF​LA​, where kF{k}_{F}kF​ is the Fermi momentum and LA{L}_{A}LA​ the linear subsystem size), but leave the leading order unchanged relative to the noninteracting case. Moreover, we find that the onset of the subleading asymptotic regime is at surprisingly small $x\ensuremath{\simeq}2--4$. We provide further insight into the entanglement properties of this system by analyzing the spectrum of the entanglement Hamiltonian of the two-body problem from weak to strong coupling. The low-lying entanglement spectrum displays clear features as the strength of the coupling is varied, such as eigenvalue crossing and merging, a sharp change in the Schmidt gap, and scale invariance at unitarity. Beyond the low-lying component, the spectrum appears as a quasicontinuum distribution, for which we present a statistical characterization; we find, in particular, that the mean shifts to infinity as the coupling is turned off, which indicates that that part of the spectrum represents nonperturbative contributions to the entanglement Hamiltonian. In contrast, the low-lying entanglement spectrum evolves to finite values in the noninteracting limit. The scale invariance of the unitary regime guarantees that our results are universal features intrinsic to three-dimensional quantum mechanics and represent a well-defined prediction for ultracold atom experiments, which were recently shown to have direct access to the entanglement entropy.
The study of strongly correlated quantum many-body systems is an outstanding challenge. Highly accurate results are needed for the understanding of practical and fundamental problems in condensed-matter physics, high energy physics, material science, quantum chemistry and so on. Our familiar mean-field or perturbative methods tend to be ineffective. Numerical simulations provide a promising approach for studying such systems. The fundamental difficulty of numerical simulation is that the dimension of the Hilbert space needed to describe interacting systems increases exponentially with the system size. Quantum Monte Carlo (QMC) methods are one of the best approaches to tackle the problem of enormous Hilbert space. They have been highly successful for boson systems and unfrustrated spin models. For systems with fermions, the exchange symmetry in general causes the infamous sign problem, making the statistical noise in the computed results grow exponentially with the system size. This hinders our understanding of interesting physics such as high-temperature superconductivity, metal-insulator phase transition. In this thesis, we present a variety of new developments in the auxiliary-field quantum Monte Carlo (AFQMC) methods, including the incorporation of symmetry in both the trial wave function and the projector, developing the constraint release method, using the force-bias to drastically improve the efficiency in Metropolis framework, identifying and solving the infinite variance problem, and sampling Hartree-Fock-Bogoliubov wave function. With these developments, some of the most challenging many-electron problems are now under control. We obtain an exact numerical solution of two-dimensional strongly interacting Fermi atomic gas, determine the ground state properties of the 2D Fermi gas with Rashba spin-orbit coupling, provide benchmark results for the ground state of the two-dimensional Hubbard model, and establish that the Hubbard model has a stripe order in the underdoped region.
Quantum magic---the resource that separates universal quantum computation from efficiently simulable Clifford circuits---has emerged as a diagnostic of many-body quantum states, yet the stabilizer Rényi entropy (SRE) that quantifies it remains largely inaccessible in interacting fermion systems. Estimating the global SRE requires a sum over exponentially many Majorana strings, which in determinant quantum Monte Carlo can be sampled without a sign problem only for the interacting density matrix obtained after averaging the auxiliary fields: sampling strings and fields simultaneously incurs a sign problem even for sign-problem-free models, so that the known sign-free alternative is a nested Monte Carlo that does not scale. We propose instead the two-point SRE---a practical stabilizer-Rényi correlator built from rank-2 SREs of one- and two-site reduced density matrices, which are fixed exactly by single-particle Green functions and density correlations already measured in standard simulations---and show that it obeys universal finite-size scaling at fermionic quantum critical points. In the one-dimensional half-filled spinless ttt-VVV chain, the correlator distinguishes algebraic and exponential decay regimes and tracks the inverse-logarithmic finite-size drift characteristic of the Berezinskii--Kosterlitz--Thouless transition. On the honeycomb lattice, sign-problem-free quantum Monte Carlo yields Gross--Neveu--Ising scaling with finite anomalous dimension at zero temperature and two-dimensional Ising collapse at the thermal transition. Our results suggest stabilizer-Rényi microscopy as a spatially resolved, quantitatively universal probe of critical correlations in interacting fermionic matter, on par with conventional order-parameter correlators and accessible to quantum-simulator measurements.