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arXiv:0904.4667 · Physical Review A

Fermionic projected entangled pair states

Christina V. Kraus, Norbert Schuch, Frank Verstraete, J. I. Cirac

Published May 26, 2010• 243 citations
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Abstract

We introduce a family of states, the fermionic projected entangled pair states (fPEPS), which describe fermionic systems on lattices in arbitrary spatial dimensions. It constitutes the natural extension of another family of states, the PEPS, which efficiently approximate ground and thermal states of spin systems with short-range interactions. We give an explicit mapping between those families, which allows us to extend previous simulation methods to fermionic systems. We also show that fPEPS naturally arise as exact ground states of certain fermionic Hamiltonians. We give an example of such a Hamiltonian, exhibiting criticality while obeying an area law.

DOI
10.1103/physreva.81.052338

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•Aug 25, 2020•1 citation
We introduce a family of states, the fermionic projected entangled pair states (fPEPS), which describe fermionic systems on lattices in arbitrary spatial dimensions. It constitutes the natural extension of another family of states, the PEPS, which efficiently approximate ground and thermal states of spin systems with short-range interactions. We give an explicit mapping between those families, which allows us to extend previous simulation methods to fermionic systems. We also show that fPEPS naturally arise as exact ground states of certain fermionic Hamiltonians. We give an example of such a Hamiltonian, exhibiting criticality while obeying an area law.
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.
We show that projected entangled-pair states (PEPS) in two spatial dimensions can describe chiral topological states by explicitly constructing a family of such states with a nontrivial Chern number. They are ground states of two different kinds of free-fermion Hamiltonians: (i) local and gapless; (ii) gapped, but with hopping amplitudes that decay according to a power law. We derive general conditions on topological free-fermionic projected entangled-pair states that show that they cannot correspond to exact ground states of gapped, local parent Hamiltonians and provide numerical evidence demonstrating that they can nevertheless approximate well the physical properties of topological insulators with local Hamiltonians at arbitrary temperatures.
The recently developed stochastic gradient method combined with Monte Carlo sampling techniques [W. Y. Liu et al., Phys. Rev. B 95, 195154 (2017)] offers a low scaling and accurate method to optimize the projected entangled pair states (PEPS). We extended this method to the fermionic PEPS (fPEPS). To simplify the implementation, we introduce a Fermi arrow notation to specify the order of the fermion operators in the virtual entangled EPR pairs. By defining some local operation rules associated with the Fermi arrows, one can implement fPEPS algorithms very similar to that of standard PEPS. We benchmark the method for the interacting spinless fermion models and the $t\text{\ensuremath{-}}J$ models. The numerical calculations show that the gradient optimization greatly improves the results of simple update method. Furthermore, very large virtual bond dimensions (DDD) and truncation dimensions (Dc{D}_{c}Dc​) are necessary to converge the results of these models. The method therefore offers a powerful tool to simulate fermion systems because it has much lower scaling than the direct contraction methods.
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.
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.
We show that Projected Entangled-Pair States (PEPS) are able to describe critical, fermionic systems exhibiting both 1d and 0d Fermi surfaces on a 2d lattice. In the thermodynamic limit, the energy precision as a function of the bond dimension improves as a power law, illustrating that an arbitrary precision can be obtained by increasing the bond dimension in a controlled manner. We also identify a non-trivial obstruction in the Gaussian and fermionic variant of PEPS, rooted in its topology and restricting its efficient applicability to models with a matching parity configuration.