We show that two different tensors defining the same translational invariant injective Projected Entangled Pair State (PEPS) in a square lattice must be the same up to a trivial gauge freedom. This allows us to characterize the existence of any local or spatial symmetry in the state. As an application of these results we prove that a SU(2) invariant PEPS with half-integer spin cannot be injective, which can be seen as a Lieb-Shultz-Mattis theorem in this context. We also give the natural generalization for U(1) symmetry in the spirit of Oshikawa-Yamanaka-Affleck, and show that a PEPS with Wilson loops cannot be injective.
We investigate the physics of projected d-wave pairing states using their fermionic projected entangled pair state (fPEPS) representation. First, we approximate a d-wave Bardeen-Cooper-Schrieffer state using the Gaussian fPEPS. Next, we translate the resulting state into fPEPS tensors and implement the Gutzwiller projection which removes double occupancy by modifying the local tensor elements. The tensor network representation of the projected d-wave pairing state allows us to evaluate physical quantities in the thermodynamic limit without employing the Gutzwiller approximation. Despite having…
We develop and benchmark a technique for simulating excitation spectra of generic two-dimensional quantum lattice systems using the framework of projected entangled-pair states (PEPS). The technique relies on a variational ansatz for capturing quasiparticle excitations on top of a PEPS ground state. Our method perfectly captures the quasiparticle dispersion relation of the square-lattice transverse-field Ising model, and reproduces the spin-wave velocity and the spin-wave anomaly in the square-lattice Heisenberg model with high precision.
Tensor network states are for good reasons believed to capture ground states of gapped local Hamiltonians arising in the condensed matter context, states which are in turn expected to satisfy an entanglement area law. However, the computational hardness of contracting projected entangled pair states in two and higher dimensional systems is often seen as a significant obstacle when devising higher-dimensional variants of the density-matrix renormalisation group method. In this work, we show that for those projected entangled pair states that are expected to provide good approximations of such g…
We introduce a family of tensor network states that we term semi-injective Projected Entangled-Pair States (PEPS). They extend the class of injective PEPS and include other states, like the ground states of the AKLT and the CZX models in square lattices. We construct parent Hamiltonians for which semi-injective PEPS are unique ground states. We also determine the necessary and sufficient conditions for two tensors to generate the same family of such states in two spatial dimensions. Using this result, we show that the third cohomology labeling of Symmetry Protected Topological phases extends t…
We present a scheme to perform an iterative variational optimization with infinite projected entangled-pair states (iPEPS), a tensor network ansatz for a two-dimensional wave function in the thermodynamic limit, to compute the ground state of a local Hamiltonian. The method is based on a systematic summation of Hamiltonian contributions using the corner transfer-matrix method. Benchmark results for challenging problems are presented, including the 2D Heisenberg model, the Shastry-Sutherland model, and the t-J model, which show that the variational scheme yields considerably more accurate resul…
Matrix Product States (MPS) and Projected Entangled Pair States (PEPS) are powerful analytical and numerical tools to assess quantum many-body systems in one and higher dimensions, respectively. While MPS are comprehensively understood, in PEPS fundamental questions, relevant analytically as well as numerically, remain open, such as how to encode symmetries in full generality, or how to stabilize numerical methods using canonical forms. Here, we show that these key problems, as well as a number of related questions, are algorithmically undecidable, that is, they cannot be fully resolved in a s…
We develop a formalism for constructing particle-number-conserving Gaussian fermionic projected entangled pair states [U(1)-GfPEPS] and show that these states can describe ground states of band insulators and gapless fermions with band touching points. When using them as variational Ansätze for two Dirac fermion systems ($π$-flux model on the square lattice and $[0,π]$-flux model on the kagome lattice), we find that the U(1)-GfPEPS, even with a relatively small bond dimension, can accurately approximate the Dirac Fermi sea ground states. By applying Gutzwiller projectors on top of these U(1)-G…
The norms or expectation values of infinite projected entangled-pair states (PEPS) cannot be computed exactly, and approximation algorithms have to be applied. In the last years, many efficient algorithms have been devised -- the corner transfer matrix renormalization group (CTMRG) and variational uniform matrix product state (VUMPS) algorithm are the most common -- but it remains unclear whether they always lead to the same results. In this paper, we identify a subclass of PEPS for which we can reformulate the contraction as a variational problem that is algorithm independent. We use this var…
We present a conjugate-gradient method for the ground-state optimization of projected entangled-pair states (PEPS) in the thermodynamic limit, as a direct implementation of the variational principle within the PEPS manifold. Our optimization is based on an efficient and accurate evaluation of the gradient of the global energy functional by using effective corner environments, and is robust with respect to the initial starting points. It has the additional advantage that physical and virtual symmetries can be straightforwardly implemented. We provide the tools to compute static structure factor…
We study Projected Entangled Pair States (PEPS) with continuous virtual symmetries, i.e., symmetries in the virtual degrees of freedom, through an elementary class of models with SU(2) symmetry. Discrete symmetries of that kind have previously allowed for a comprehensive explanation of topological order in the PEPS formalism. We construct local parent Hamiltonians whose ground space with open boundaries is exactly parametrized by the PEPS wavefunction, and show how the ground state can be made unique by a suitable choice of boundary conditions. We also find that these models exhibit a logarith…
Variational optimization of projected entangled-pair states on the triangular lattice
Freie Universität Berlin（柏林自由大学）；Dahlem Center for Complex Quantum Systems（达勒姆复杂量子系统中心）；Institut für Theoretische Physik（理论物理研究所）；Helmholtz-Zentrum Berlin für Materialien und Energie（柏林亥姆霍兹材料与能源中心）
Tensor networks are generated by a set of small rank tensors and define many-body quantum states in a succinct form. The corresponding map is not one-to-one: different sets of tensors may generate the very same state. A fundamental question in the study of tensor networks naturally arises: what is then the relation between those sets? The answer to this question in one dimensional setups has found several applications, like the characterization of local and global symmetries, the classification of phases of matter and unitary evolutions, or the determination of the fixed points of renormalizat…
We propose an algorithm to convert a projected entangled pair state (PEPS) into a canonical form, analogous to the well-known canonical form of a matrix product state. Our approach is based on a variational gauging ansatz for the QR tensor decomposition of PEPS columns into a matrix product operator and a finite depth circuit of unitaries and isometries. We describe a practical initialization scheme that leads to rapid convergence in the QR optimization. We explore the performance and stability of the variational gauging algorithm in norm calculations for the transverse-field Ising and Heisenb…
We use Projected Entangled Pair States (PEPS) to study topological quantum phase transitions. The local description of topological order in the PEPS formalism allows us to set up order parameters which measure condensation and deconfinement of anyons, and serve as a substitute for conventional order parameters. We apply these order parameters, together with anyon-anyon correlation functions and some further probes, to characterize topological phases and phase transitions within a family of models based on a $\mathbb Z_4$ symmetry, which contains $\mathbb Z_4$ quantum double, toric code, double…
Variational Monte Carlo studies employing projected entangled-pair states (PEPS) have recently shown that they can provide answers on long-standing questions such as the nature of the phases in the two-dimensional $J_1 - J_2$ model. The sampling in these Monte Carlo algorithms is typically performed with Markov Chain Monte Carlo algorithms employing local update rules, which often suffer from long autocorrelation times and interdependent samples. We propose a sampling algorithm that generates independent samples from a PEPS, bypassing all problems related to finite autocorrelation times. This …
Corner entanglement scaling with projected entangled pair states
Center for Nonlinear Phenomena and Complex Systems, Université Libre de Bruxelles（布鲁塞尔自由大学非线性现象与复杂系统中心）；International Solvay Institutes（国际索尔维研究所）；Graduate School of China Academy of Engineering Physics（中国工程物理研究院研究生院）
The recently developed stochastic gradient method combined with Monte Carlo sampling techniques [PRB {\bf 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 f…
Based on the scheme of variational Monte Carlo sampling, we develop an accurate and efficient two-dimensional tensor-network algorithm to simulate quantum lattice models. We find that Monte Carlo sampling shows huge advantages in dealing with finite projected entangled pair states, which allows significantly enlarged system size and improves the accuracy of tensor network simulation. We demonstrate our method on the square-lattice antiferromagnetic Heisenberg model up to $32 \times 32$ sites, as well as a highly frustrated $J_1-J_2$ model up to $24\times 24$ sites. The results, including groun…
Projected Entangled Pair States (PEPS) are used in practice as an efficient parametrization of the set of ground states of quantum many body systems. The aim of this paper is to present, for a broad mathematical audience, some mathematical questions about PEPS.
We present an approach to identify topological order based on unbiased infinite projected entangled-pair states (iPEPS) simulations, i.e. where we do not impose a virtual symmetry on the tensors during the optimization of the tensor network ansatz. As an example we consider the ground state of the toric code model in a magnetic field exhibiting $Z_2$ topological order. The optimization is done by an efficient energy minimization approach based on a summation of tensor environments to compute the gradient. We show that the optimized tensors, when brought into the right gauge, are approximately …
The projected entangled pair states (PEPS) methods have been proved to be powerful tools to solve the strongly correlated quantum many-body problems in two-dimension. However, due to the high computational scaling with the virtual bond dimension $D$, in a practical application PEPS are often limited to rather small bond dimensions, which may not be large enough for some highly entangled systems, for instance, the frustrated systems. The optimization of the ground state using time evolution method with simple update scheme may go to a larger bond dimension. However, the accuracy of the rough ap…
We present a method of extracting information about the topological order from the ground state of a strongly correlated two-dimensional system computed with the infinite projected entangled pair state (iPEPS). For topologically ordered systems, the iPEPS wrapped on a torus becomes a superposition of degenerate, locally indistinguishable ground states. Projectors in the form of infinite matrix product operators (iMPO) onto states with well-defined anyon flux are used to compute topological $S$ and $T$ matrices (encoding mutual- and self-statistics of emergent anyons). The algorithm is shown to…
We study second order finite temperature phase transitions of the 2D quantum Ising and interacting honeycomb fermions models using infinite projected entangled pair states (iPEPS). We obtain an iPEPS thermal state representation by Variational Tensor Network Renormalization (VTNR). We find that at the critical temperature $T_c$ the iPEPS correlation length is finite for the computationally accessible values of the iPEPS bond dimension $D$. Motivated by this observation we investigate the application of Finite Correlation Length Scaling (FCLS), which has been previously used for iPEPS simulatio…
Tensor network algorithms have proven to be very powerful tools for studying one- and two-dimensional quantum many-body systems. However, their application to three-dimensional (3D) quantum systems has so far been limited, mostly because the efficient contraction of a 3D tensor network is very challenging. In this paper we develop and benchmark two contraction approaches for infinite projected entangled-pair states (iPEPS) in 3D. The first approach is based on a contraction of a finite cluster of tensors including an effective environment to approximate the full 3D network. The second approach…
We study fermionic matrix product operator algebras and identify the associated algebraic data. Using this algebraic data we construct fermionic tensor network states in two dimensions that have non-trivial symmetry-protected or intrinsic topological order. The tensor network states allow us to relate physical properties of the topological phases to the underlying algebraic data. We illustrate this by calculating defect properties and modular matrices of supercohomology phases. Our formalism also captures Majorana defects as we show explicitly for a class of $\mathbb{Z}_2$ symmetry-protected a…
We generalize the method introduced in Phys. Rev. B 101, 041108 (2020) of extracting information about topological order from the ground state of a strongly correlated two-dimensional system represented by an infinite projected entangled pair state (iPEPS) to non-Abelian topological order. When wrapped on a torus the unique iPEPS becomes a superposition of degenerate and locally indistinguishable ground states. We find numerically symmetries of the iPEPS, represented by infinite matrix product operators (MPO), and their fusion rules. The rules tell us how to combine the symmetries into project…
The infinite Projected Entangled-Pair State (iPEPS) algorithm is one of the most efficient techniques for studying the ground-state properties of two-dimensional quantum lattice Hamiltonians in the thermodynamic limit. Here, we show how the algorithm can be adapted to explore nearest-neighbor local Hamiltonians on the ruby and triangle-honeycomb lattices, using the Corner Transfer Matrix (CTM) renormalization group for 2D tensor network contraction. Additionally, we show how the CTM method can be used to calculate the ground state fidelity per lattice site and the boundary density operator and…
We propose an improved approach to carry out the imaginary time evolution of infinite projected entangled-pair states (iPEPS), especially for systems with criticality. A cyclic optimal truncation is introduced to update the tensors along a closed loop, aiming to remove the redundant internal correlations. We demonstrate the algorithm by considering an elaborate evolution based on simple update on a small plaquette. This scheme can also be applied to a full update strategy. We demonstrate their performances on simulating the ground states of the spin-$1/2$ anti-ferromagnetic Heisenberg model an…
Southern University of Science and Technology（南方科技大学）；Sun Yat-sen University（中山大学）；Laboratoire de Physique Théorique, C.N.R.S. and Université de Toulouse（法国国家科学研究中心图卢兹大学理论物理实验室）
Simulating one hundred entangled atoms using projected-interacting full configuration interaction wavefunctions corrected by projected density functionals
A typical quantum state obeying the area law for entanglement on an infinite 2D lattice can be represented by a tensor network ansatz -- known as an infinite projected entangled pair state (iPEPS) -- with a finite bond dimension $D$. Its real/imaginary time evolution can be split into small time steps. An application of a time step generates a new iPEPS with a bond dimension $k$ times the original one. The new iPEPS does not make optimal use of its enlarged bond dimension $kD$, hence in principle it can be represented accurately by a more compact ansatz, favourably with the original $D$. In th…
The theory of entanglement provides a fundamentally new language for describing interactions and correlations in many body systems. Its vocabulary consists of qubits and entangled pairs, and the syntax is provided by tensor networks. We review how matrix product states and projected entangled pair states describe many-body wavefunctions in terms of local tensors. These tensors express how the entanglement is routed, act as a novel type of non-local order parameter, and we describe how their symmetries are reflections of the global entanglement patterns in the full system. We will discuss how t…
We study the spin-$1$ Heisenberg model on the square lattice with the antiferromagnetic nearest-neighbor $J_1$ and the next-nearest-neighbor $J_2$ couplings by using the infinite projected entangled-pair state (iPEPS) ansatz and density matrix renormalization group (DMRG) calculation. The iPEPS simulation, which studies the model directly in the thermodynamic limit, finds a crossing of the ground state from the Néel magnetic state to the stripe magnetic state at $J_2/J_1 \simeq 0.549$, showing a direct phase transition. In the finite-size DMRG calculation on the cylinder geometry up to the cyl…
We introduce plaquette projected entangled-pair states, a class of states in a lattice that can be generated by applying sequential unitaries acting on plaquettes of overlapping regions. They satisfy area-law entanglement, possess long-range correlations, and naturally generalize other relevant classes of tensor network states. We identify a subclass that can be more efficiently prepared in a radial fashion and that contains the family of isometric tensor network states [M. P. Zaletel and F. Pollmann, Phys. Rev. Lett. 124, 037201 (2020)]. We also show how this subclass can be efficiently prepa…
