The projected entangled pair state (PEPS) ansatz can represent a thermal state in a strongly correlated system. We introduce a novel variational algorithm to optimize this tensor network. Since full tensor environment is taken into account, then with increasing bond dimension the optimized PEPS becomes the exact Gibbs state. Our presentation opens with a 1D version for a matrix product state (MPS) and then generalizes to PEPS in 2D. Benchmark results in the quantum Ising model are presented.
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 show that projected entangled-pair states (PEPS) can describe chiral topologically ordered phases. For that, we construct a simple PEPS for spin-1/2 particles in a two-dimensional lattice. We reveal a symmetry in the local projector of the PEPS that gives rise to the global topological character. We also extract characteristic quantities of the edge conformal field theory using the bulk-boundary correspondence.
We introduce a spin-orbital entangled (SOE) resonating valence bond (RVB) state on a square lattice of spins-$\frac12$ and orbitals represented by pseudospins-$\frac12$. Like the standard RVB state, it is a superposition of nearest-neighbor hard-core coverings of the lattice by spin singlets, but adjacent singlets are favoured to have perpendicular orientations and, more importantly, an orientation of each singlet is entangled with orbitals' state on its two lattice sites. The SOE-RVB state can be represented by a projected entangled pair state (PEPS) with a bond dimension $D=4$. This represen…
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 propose a new class of tensor-network states, which we name projected entangled simplex states (PESS), for studying the ground-state properties of quantum lattice models. These states extend the pair-correlation basis of projected entangled pair states (PEPS) to a simplex. PESS are an exact representation of the simplex solid states and provide an efficient trial wave function that satisfies the area law of entanglement entropy. We introduce a simple update method for evaluating the PESS wave function based on imaginary-time evolution and the higher-order singular-value decomposition of ten…
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…
We construct parent Hamiltonians involving only local 2-body interactions for a broad class of Projected Entangled Pair States (PEPS). Making use of perturbation gadget techniques, we define a perturbative Hamiltonian acting on the virtual PEPS space with a finite order low energy effective Hamiltonian that is a gapped, frustration-free parent Hamiltonian for an encoded version of a desired PEPS. For topologically ordered PEPS, the ground space of the low energy effective Hamiltonian is shown to be in the same phase as the desired state to all orders of perturbation theory. An encoded parent H…
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 non-trivial 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 PEPS which show that they cannot correspond to exact ground states of gapped, local parent Hamiltonians, and provide numerical evidence demonstrating that they can…
We develop tangent space methods for projected entangled-pair states (PEPS) that provide direct access to the low-energy sector of strongly-correlated two-dimensional quantum systems. More specifically, we construct a variational ansatz for elementary excitations on top of PEPS ground states that allows for computing gaps, dispersion relations, and spectral weights directly in the thermodynamic limit. Solving the corresponding variational problem requires the evaluation of momentum transformed two-point and three-point correlation functions on a PEPS background, which we can compute efficientl…
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…
Projected Entangled Pair States (PEPS) are a promising ansatz for the study of strongly correlated quantum many-body systems in two dimensions. But due to their high computational cost, developing and improving PEPS algorithms is necessary to make the ansatz widely usable in practice. Here we analyze several algorithmic aspects of the method. On the one hand, we quantify the connection between the correlation length of the PEPS and the accuracy of its approximate contraction, and discuss how purifications can be used in the latter. On the other, we present algorithmic improvements for the upda…
We study the edge physics of gapped quantum systems in the framework of Projected Entangled Pair State (PEPS) models. We show that the effective low-energy model for any region acts on the entanglement degrees of freedom at the boundary, corresponding to physical excitations located at the edge. This allows us to determine the edge Hamiltonian in the vicinity of PEPS models, and we demonstrate that by choosing the appropriate bulk perturbation, the edge Hamiltonian can exhibit a rich phase diagram and phase transitions. While for models in the trivial phase any Hamiltonian can be realized at t…
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…
A projected entangled pair state (PEPS) with ancillas is evolved in imaginary time. This tensor network represents a thermal state of a 2D lattice quantum system. A finite temperature phase diagram of the 2D quantum Ising model in a transverse field is obtained as a benchmark application.
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…
Projected Entangled Pair States (PEPS) provide a framework for the construction of models where a single tensor gives rise to both Hamiltonian and ground state wavefunction on the same footing. A key problem is to characterize the behavior which emerges in the system in terms of the properties of the tensor, and thus of the Hamiltonian. In this paper, we consider PEPS models with $\mathbb Z_2$ on-site symmetry and study the occurence of long-range order and spontaneous symmetry breaking. We show how long-range order is connected to a degeneracy in the spectrum of the PEPS transfer operator, an…
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）
An algorithm for imaginary time evolution of a fermionic projected entangled pair state (PEPS) with ancillas from infinite temperature down to a finite temperature state is presented. As a benchmark application, it is applied to spinless fermions hopping on a square lattice subject to $p$-wave pairing interactions. With a tiny bias it allows to evolve the system across a high-temperature continuous symmetry-breaking phase transition.
The approximate contraction of a Projected Entangled Pair States (PEPS) tensor network is a fundamental ingredient of any PEPS algorithm, required for the optimization of the tensors in ground state search or time evolution, as well as for the evaluation of expectation values. An exact contraction is in general impossible, and the choice of the approximating procedure determines the efficiency and accuracy of the algorithm. We analyze different previous proposals for this approximation, and show that they can be understood via the form of their environment, i.e. the operator that results from …
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…
We analyze a criterion which guarantees that the ground states of certain many body systems are stable under perturbations. Specifically, we consider PEPS, which are believed to provide an efficient description, based on local tensors, for the low energy physics arising from local interactions. In order to assess stability in the framework of PEPS, one thus needs to understand how physically allowed perturbations of the local tensor affect the properties of the global state. In this paper, we show that a restricted version of the Local Topological Quantum Order (LTQO) condition provides a chec…
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 explore in detail the implementation of arbitrary abelian and non-abelian symmetries in the setting of infinite projected entangled pair states on the two-dimensional square lattice. We observe a large computational speed-up; easily allowing bond dimensions $D = 10$ in the square lattice Heisenberg model at computational effort comparable to calculations at $D = 6$ without symmetries. We also find that implementing an unbroken symmetry does not negatively affect the representative power of the state and leads to identical or improved ground-state energies. Finally, we point out how to use s…
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…
A projected entangled pair state (PEPS) with ancillas can be evolved in imaginary time to obtain thermal states of a strongly correlated quantum system on a 2D lattice. Every application of a Suzuki-Trotter gate multiplies the PEPS bond dimension $D$ by a factor $k$. It has to be renormalized back to the original $D$. In order to preserve the accuracy of the Suzuki-Trotter (S-T) decomposition, the renormalization has in principle to take into account full environment made of the new tensors with the bond dimension $k\times D$. Here we propose a self-consistent renormalization procedure operati…
