We study the nature of the ground state of the frustrated J1-J2 model and the J1-J3 model using a variational algorithm based on projected entangled-pair states (PEPS). By investigating spin-spin correlation functions, we observe a separation in regions with long-range and short-range order. A direct comparison with exact diagonalizations in the subspace of short-range valence bond singlets reveals that the system is well described by states within this subset in the short-range order regions. We discuss the question whether the system forms a spin-liquid, a plaquette valence bond crystal or a columnar dimer crystal in these regions.
Highly frustrated spin systems represent a central and challenging problem in condensed mater physics. To this problem, we introduce an algorithm based on mixed projected entangled pair states (m-PEPS), which is a novel type of tensor network. We use the famous Kitaev model on an infinite honeycomb lattice, which can be solved exactly, as a benchmark. With very limited parameters and finite scaling, our calculation results are in good agreement with the exact results, indicating the efficiency of our algorithm. After presenting the benchmark, we investigate the Kitaev-Heisenberg model, which w…
The study of strongly frustrated magnetic systems has drawn great attentions from both theoretical and experimental physics. Efficient simulations of these models are essential for understanding their exotic properties. Here we present PEPS++, a novel computational paradigm for simulating frustrated magnetic systems and other strongly correlated quantum many-body systems. PEPS++ can accurately solve these models at the extreme scale with low cost and high scalability on modern heterogeneous supercomputers. We implement PEPS++ on Sunway TaihuLight based on a carefully designed tensor computatio…
We explain how to implement, in the context of projected entangled-pair states (PEPS), the general procedure of fermionization of a tensor network introduced in [P. Corboz, 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 numeri…
Doubts have been raised on the representation of chiral spin liquids exhibiting topological order in terms of projected entangled pair states (PEPSs). Here, starting from a simple spin-1/2 chiral frustrated Heisenberg model, we show that a faithful representation of the chiral spin liquid phase is in fact possible in terms of a generic PEPS upon variational optimization. We find a perfectly chiral gapless edge mode and a rapid decay of correlation functions at short distances consistent with a bulk gap, concomitant with a gossamer long-range tail originating from a PEPS bulk-edge correspondenc…
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 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 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…
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.
A simple spin-$1/2$ frustrated antiferromagnetic Heisenberg model (AFHM) on the square lattice - including chiral plaquette cyclic terms - was argued [Anne E.B. Nielsen, German Sierra and J. Ignacio Cirac, Nature Communications $\bf 4$, 2864 (2013)] to host a bosonic Kalmeyer-Laughlin (KL) fractional quantum Hall ground state [V. Kalmeyer and R. B. Laughlin, Phys. Rev. Lett. $\bf 59$, 2095 (1987)]. Here, we construct generic families of chiral projected entangled pair states (chiral PEPS) with low bond dimension ($D=3,4,5$) which, upon optimization, provide better variational energies than the…
Algorithms for variational Monte Carlo calculations of fermion projected entangled pair states in the swap gates formulation and the detailed balance of tensor network sequential sampling
Institute of Physics, Chinese Academy of Sciences（中国科学院物理研究所）；University of Pittsburgh（匹兹堡大学）
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…
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 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…
It is well-known that many topological phase transitions of intrinsic Abelian topological phases are accompanied by condensation and confinement of anyons. However, for non-Abelian topological phases, more intricate phenomena can occur at their phase transitions, because the multiple degenerate degrees of freedom of a non-Abelian anyon can change in different ways after phase transitions. In this paper, we study these new phenomena, including partial condensation, partial deconfinement and especially anyon splitting (a non-Abelian anyon splits into different kinds of the new anyon species) usi…
Spontaneous discrete symmetry breaking can be described in the framework of Projected Entangled Pair States (PEPS) by linearly superposing local tensors belonging to two (or more) symmetry classes of tensors. This is illustrated in the case of a frustrated spin-1 Heisenberg model on the square lattice, which hosts a nematic spin liquid spontaneously breaking lattice $π/2$-rotation symmetry. A superposition of SU(2)-symmetric PEPS tensors belonging to two irreducible representations of the lattice point group is shown to capture accurately the properties of the nematic phase, as shown from a co…
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 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…
In a recent contribution [Phys. Rev. B 81, 165104 (2010)] fermionic Projected Entangled-Pair States (PEPS) were used to approximate the ground state of free and interacting spinless fermion models, as well as the $t$-$J$ 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 resu…
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 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…
We develop a technique for calculating three-dimensional classical partition functions using projected entangled-pair states (PEPS). Our method is based on variational PEPS optimization algorithms for two-dimensional quantum spin systems, and allows us to compute free energies directly in the thermodynamic limit. The main focus of this work is classical frustration in three-dimensional many-body systems leading to an extensive ground-state degeneracy. We provide high-accuracy results for the residual entropy of the dimer model on the cubic lattice, water-ice $I_h$ and water-ice $I_c$. In addit…
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.
Algorithms to simulate the ring-exchange models using the projected entangled pair states (PEPS) are developed. We generalize the imaginary time evolution (ITE) method to optimize PEPS wave functions for the models with ring-exchange interactions. We compare the effects of different approximations to the environment. To understand the numerical instability during the optimization, we introduce the ``singularity'' of a PEPS and develop a regulation procedure that can effectively reduce the singularity of a PEPS. We benchmark our method with the toric code model, and obtain extremely accurate gr…
Simulating Bulk Gap in Chiral Projected Entangled-Pair States
Center for Neutron Science and Technology, Guangdong Provincial Key Laboratory of Magnetoelectric Physics and Devices, School of Physics, Sun Yat-sen University（中山大学物理学院）；Department of Physics, Southern University of Science and Technology（南方科技大学物理系）；Laboratoire de Physique Théorique, Université de Toulouse, CNRS, UPS（图卢兹大学理论物理实验室）
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 Wils…
A classification of SU(2)-invariant Projected Entangled Paired States (PEPS) on the square lattice, based on a unique site tensor, has been recently introduced by Mambrini et al.~\cite{Mambrini2016}. It is not clear whether such SU(2)-invariant PEPS can either i) exhibit long-range magnetic order (like in the Néel phase) or ii) describe a genuine quantum critical point (QCP) or quantum critical phase (QCPh) separating two ordered phases. Here, we identify a specific family of SU(2)-invariant PEPS of the classification which provides excellent variational energies for the $J_1-J_2$ frustrated H…
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 …
Investigation of the $J_1$-$J_2$ Heisenberg model on the triangular lattice: A study with projected entangled-pair states
Sun Yat-sen University（中山大学）；Keio University（庆应义塾大学）；Laboratoire de Physique Théorique, IRSAMC, Université de Toulouse, CNRS, UPS, France（图卢兹大学理论物理实验室，IRSAMC，CNRS，UPS）
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.
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…
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）
We investigate the topological character of lattice chiral Gaussian fermionic states in two dimensions possessing the simplest descriptions in terms of projected entangled-pair states (PEPS). They are ground states of two different kinds of Hamiltonians. The first one, $\mathcal H_\mathrm{ff}$, is local, frustration-free, and gapless. It can be interpreted as describing a quantum phase transition between different topological phases. The second one, $\mathcal H_\mathrm{fb}$ is gapped, and has hopping terms scaling as $1/r^3$ with the distance $r$. The gap is robust against local perturbations,…
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 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…
Variationally optimizing infinite projected entangled-pair states at large bond dimensions: A split corner transfer matrix renormalization group approach
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 resonating valence bond (RVB) states in the Projected Entangled Pair States (PEPS) formalism. Based on symmetries in the PEPS description, we establish relations between the toric code state, the orthogonal dimer state, and the SU(2) singlet RVB state on the kagome lattice: We prove the equivalence of toric code and dimer state, and devise an interpolation between the dimer state and the RVB state. This interpolation corresponds to a continuous path in Hamiltonian space, proving that the RVB state is the four-fold degenerate ground state of a local Hamiltonian on the (finite) kagome l…
Quantum spin liquids can be faithfully represented and efficiently characterized within the framework of Projected Entangled Pair States (PEPS). Guided by extensive exact diagonalization and density matrix renormalization group calculations, we construct an optimized symmetric PEPS for a SU$(3)_1$ chiral spin liquid on the square lattice. Characteristic features are revealed by the entanglement spectrum (ES) on an infinitely long cylinder. In all three $\mathbb{Z}_3$ sectors, the level counting of the linear dispersing modes is in full agreement with SU$(3)_1$ Wess-Zumino-Witten conformal fiel…
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…
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 …
Projected entangled pair states (PEPS) provide exact representations for many non-chiral topologically ordered states whereas their range of applicability to interacting chiral topological phases remains largely unsettled. In this context, the symmetries of the local PEPS tensors are crucial for determining the characteristic topological features of the state. In this article we examine the constraints that arise when different symmetries are imposed simultaneously on the local tensor such as internal $SU(2)$, point group and translation symmetry. We show how the interplay of these symmetries …
We consider a family of SU(2)-symmetric Projected Entangled Paired States (PEPS) on the square lattice, defining colored-Resonating Valence Bond (RVB) states, to describe the quantum disordered phase of the $J_1-J_2$ frustrated Heisenberg model.For $J_2/J_1\sim 0.55$ we show the emergence of critical (algebraic) dimer-dimer correlations -- typical of Rokhsar-Kivelson (RK) points of quantum dimer models on bipartite lattices -- while, simultaneously, the spin-spin correlation length remains short. Our findings are consistent with a spin liquid or a weak Valence Bond Crystal in the neighborhood …
Abelian and non-Abelian topological phases exhibiting protected chiral edge modes are ubiquitous in the realm of the Fractional Quantum Hall (FQH) effect. Here, we investigate a spin-1 Hamiltonian on the square lattice which could, potentially, host the spin liquid analog of the (bosonic) non-Abelian Moore-Read FQH state, as suggested by Exact Diagonalisation of small clusters. Using families of fully SU(2)-spin symmetric and translationally invariant chiral Projected Entangled Pair States (PEPS), variational energy optimization is performed using infinite-PEPS methods, providing good agreemen…
We study the structure of topological phases and their boundaries in the Projected Entangled Pair States (PEPS) formalism. We show how topological order in a system can be identified from the structure of the PEPS transfer operator, and subsequently use these findings to analyze the structure of the boundary Hamiltonian, acting on the bond variables, which reflects the entanglement properties of the system. We find that in a topological phase, the boundary Hamiltonian consists of two parts: A universal non-local part which encodes the nature of the topological phase, and a non-universal part w…
