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arXiv:0912.0646 · Physical Review B

Simulation of strongly correlated fermions in two spatial dimensions with fermionic projected entangled-pair states

Philippe Corboz, Román Orús, Bela Bauer, Guifré Vidal

Published Apr 8, 2010• 323 citations
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Abstract

We explain how to implement, in the context of projected entangled-pair states (PEPSs), the general procedure of fermionization of a tensor network introduced in P. Corboz and G. Vidal, Phys. Rev. B 80, 165129 (2009). The resulting fermionic PEPS, similar to previous proposals, can be used to study the ground state of interacting fermions on a two-dimensional lattice. As in the bosonic case, the cost of simulations depends on the amount of entanglement in the ground state and not directly on the strength of interactions. The present formulation of fermionic PEPS leads to a straightforward numerical implementation that allowed us to recycle much of the code for bosonic PEPS. We demonstrate that fermionic PEPS are a useful variational ansatz for interacting fermion systems by computing approximations to the ground state of several models on an infinite lattice. For a model of interacting spinless fermions, ground state energies lower than Hartree-Fock results are obtained, shifting the boundary between the metal and charge-density wave phases. For the $t\text{\ensuremath{-}}J$ model, energies comparable with those of a specialized Gutzwiller-projected ansatz are also obtained.

DOI
10.1103/physrevb.81.165104

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We explain how to implement, in the context of projected entangled-pair states (PEPSs), the general procedure of fermionization of a tensor network introduced in P. Corboz and G. Vidal, Phys. Rev. B 80, 165129 (2009). The resulting fermionic PEPS, similar to previous proposals, can be used to study the ground state of interacting fermions on a two-dimensional lattice. As in the bosonic case, the cost of simulations depends on the amount of entanglement in the ground state and not directly on the strength of interactions. The present formulation of fermionic PEPS leads to a straightforward numerical implementation that allowed us to recycle much of the code for bosonic PEPS. We demonstrate that fermionic PEPS are a useful variational ansatz for interacting fermion systems by computing approximations to the ground state of several models on an infinite lattice. For a model of interacting spinless fermions, ground state energies lower than Hartree-Fock results are obtained, shifting the boundary between the metal and charge-density wave phases. For the t\ensuremath-Jt\text{\ensuremath{-}}Jt\ensuremath-J model, energies comparable with those of a specialized Gutzwiller-projected ansatz are also obtained.
In a recent contribution [P. Corboz, R. Or\'us, B. Bauer, and G. Vidal, Phys. Rev. B 81, 165104 (2010)] fermionic projected entangled-pair states (PEPSs) were used to approximate the ground state of free and interacting spinless fermion models, as well as the $t\text{\ensuremath{-}}J$ model. This paper revisits these three models in the presence of an additional next-nearest hopping amplitude in the Hamiltonian. First we explain how to account for next-nearest neighbor Hamiltonian terms in the context of fermionic PEPS algorithms based on simulating time evolution. Then we present benchmark calculations for the three models of fermions and compare our results against analytical, mean-field, and variational Monte Carlo results, respectively. Consistent with previous computations restricted to nearest neighbor Hamiltonians, we systematically obtain more accurate (or better converged) results for gapped phases than for gapless ones.
Tensor network states, and in particular projected entangled pair states (PEPS) have been a strong ansatz for the variational study of complicated quantum many-body systems, thanks to their built-in entanglement entropy area law. In this work, we use a special kind of PEPS---gauged Gaussian fermionic PEPS (GGFPEPS)---to find the ground state of 2+12+12+1 dimensional pure Z2{\mathbb{Z}}_{2}Z2​ lattice gauge theories for a wide range of coupling constants. We do so by combining PEPS methods with Monte-Carlo computations, allowing for efficient contraction of the PEPS and computation of correlation functions. Previously, such numerical computations involved the calculation of the Pfaffian of a matrix scaling with the system size, forming a severe bottleneck; in this work we show how to overcome this problem. This paves the way for applying the method we propose and benchmark here to other gauge groups, higher dimensions, and models with fermionic matter, in an efficient, sign-problem-free way.
Gauge theories form the basis of our understanding of modern physics—ranging from the description of quarks and gluons to effective models in condensed matter physics. In the nonperturbative regime, gauge theories are conventionally treated discretely as lattice gauge theories. The resulting systems are evaluated with path-integral based Monte Carlo methods. These methods, however, can suffer from the sign problem and do not allow for a direct evaluation of real-time dynamics. In this work, we present a unified and comprehensive framework for gauged Gaussian projected entangled pair states (PEPS), a variational ansatz based on tensor networks. We review the construction of Hamiltonian lattice gauge theories, explain their similarities to PEPS, and detail the construction of the ansatz state. The estimation of ground states is based on a variational Monte Carlo procedure with the PEPS as an ansatz state. This sign-problem-free ansatz can be efficiently evaluated in any dimension with arbitrary gauge groups, and can include dynamical fermionic matter, suggesting new options for the simulation of nonperturbative regimes of gauge theories, including quantum chromodynamics. Published by the American Physical Society 2024
Numerical treatment of two-dimensional strongly-correlated systems is both extremely challenging and of fundamental importance. Infinite projected entangled-pair states (PEPS), a class of tensor networks, have demonstrated cutting-edge performance for ground-state calculations, working directly in the thermodynamic limit. Furthermore, in recent years the application of PEPS has been extended to also low-lying excited states, using an ansatz that targets quasiparticle states above the ground state with high accuracy. A major technical challenge for those simulations is the accurate evaluation of summations of two- and three-point correlation functions with reasonable computational cost. In this paper, we show how a reformulation of nnn-point functions in the context of PEPS leads to extra contributions to the results that prove to play an important role. Benchmarks for the frustrated ${J}_{1}\ensuremath{-}{J}_{2}$ Heisenberg model illustrate the improved precision, efficiency, and stability of the simulations compared to previous approaches. Leveraging automatic differentiation to generate the most tedious and error-prone parts of the computation, the straightforward implementation presented here is a step towards broader adoption of the PEPS excitation ansatz in future applications.
Numerical treatment of two dimensional strongly-correlated systems is both extremely challenging and of fundamental importance. Infinite projected entangled-pair states (PEPS), a class of tensor networks, have demonstrated cutting-edge performance for ground state calculations, working directly in the thermodynamic limit. Furthermore, in recent years the application of PEPS has been extended to also low-lying excited states, using an ansatz that targets quasiparticle states above the ground state with high accuracy. A major technical challenge for those simulations is the accurate evaluation of summations of two- and three-point correlation functions with reasonable computational cost. In this work, we show how a reformulation of nnn-point functions in the context of PEPS leads to extra contributions to the results that prove to play an important role. Benchmarks for the frustrated J1−J2J_1-J_2J1​−J2​ Heisenberg model illustrate the improved precision, efficiency and stability of the simulations compared to previous approaches. Leveraging automatic differentiation to generate the most tedious and error-prone parts of the computation, the straightforward implementation presented here is a step towards broader adoption of the PEPS excitation ansatz in future applications.
Fermionic Gaussian projected entangled pair states (PEPS) are fermionic tensor network state constructions that describe the physics of ground states of noninteracting fermionic Hamiltonians. As noninteracting states, one may study and analyze them very efficiently, in both analytical and numerical means. Recently it was shown that they may be used as the starting point---after applying so-called PEPS gauging mechanisms---for variational study of nontrivial, interacting states of lattice gauge theories. This is done using sign-problem free variational Monte Carlo techniques. In this work we show how to generalize such states from two to three spatial dimensions, focusing on spin representations and requirements of lattice rotations. We present constructions that are crucial for the application of the above-mentioned variational Monte Carlo techniques for studying nonperturbative lattice gauge theory physics, with fermionic matter, in 2+1D2+1\mathrm{D}2+1D and 3+1D3+1\mathrm{D}3+1D models. Thus, the constructions presented here are crucial for the study of nontrivial lattice gauge theories with fermionic tensor network states.