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Tensor network states provide an efficient class of states that faithfully capture strongly correlated quantum models and systems in classical statistical mechanics. While tensor networks can now be seen as becoming standard tools in the description of such complex many-body systems, close to optimal variational principles based on such states are less obvious to come by. In this work, we generalize a recently proposed variational uniform matrix product state algorithm for capturing one-dimensional quantum lattices in the thermodynamic limit, to the study of regular two-dimensional tensor networks with a non-trivial unit cell. A key property of the algorithm is a computational effort that scales linearly rather than exponentially in the size of the unit cell. We demonstrate the performance of our approach on the computation of the classical partition functions of the antiferromagnetic Ising model and interacting dimers on the square lattice, as well as of a quantum doped resonating valence bond state., Comment: 23 pages, 8 Figures; Corrected eq. (41); Revised argument in A.2

We develop variational matrix product state (MPS) methods with symmetries to determine dispersion relations of one dimensional quantum lattices as a function of momentum and preset quantum number. We test our methods on the XXZ spin chain, the Hubbard model and a non-integrable extended Hubbard model, and determine the excitation spectra with a precision similar to the one of the ground state. The formulation in terms of quantum numbers makes the topological nature of spinons and holons very explicit. In addition, the method also enables an easy and efficient direct calculation of the necessary magnetic field or chemical potential required for a certain ground state magnetization or particle density., Comment: 13 pages, 4 pages appendix, 8 figures

We revisit the corner transfer matrix renormalization group (CTMRG) method of Nishino and Okunishi for contracting two-dimensional (2D) tensor networks and demonstrate that its performance can be substantially improved by determining the tensors using an eigenvalue solver as opposed to the power method used in CTMRG. We also generalize the variational uniform matrix product state (VUMPS) ansatz for diagonalizing 1D quantum Hamiltonians to the case of 2D transfer matrices and discuss similarities with the corner methods. These two new algorithms will be crucial to improving the performance of variational infinite projected entangled pair state (PEPS) methods., Comment: 20 pages, 5 figures, V. Zauner-Stauber previously also published under the name V. Zauner

We combine the Density Matrix Renormalization Group (DMRG) with Matrix Product State tangent space concepts to construct a variational algorithm for finding ground states of one dimensional quantum lattices in the thermodynamic limit. A careful comparison of this variational uniform Matrix Product State algorithm (VUMPS) with infinite Density Matrix Renormalization Group (IDMRG) and with infinite Time Evolving Block Decimation (ITEBD) reveals substantial gains in convergence speed and precision. We also demonstrate that VUMPS works very efficiently for Hamiltonians with long range interactions and also for the simulation of two dimensional models on infinite cylinders. The new algorithm can be conveniently implemented as an extension of an already existing DMRG implementation., Comment: 20 pages + 12 pages appendix, V. Zauner-Stauber previously also published under the name V. Zauner

We consider the tensors generating matrix product states and density operators in a spin chain. For pure states, we revise the renormalization procedure introduced by F. Verstraete et al. in 2005 and characterize the tensors corresponding to the fixed points. We relate them to the states possessing zero correlation length, saturation of the area law, as well as to those which generate ground states of local and commuting Hamiltonians. For mixed states, we introduce the concept of renormalization fixed points and characterize the corresponding tensors. We also relate them to concepts like finite correlation length, saturation of the area law, as well as to those which generate Gibbs states of local and commuting Hamiltonians. One of the main result of this work is that the resulting fixed points can be associated to the boundary theories of two-dimensional topological states, through the bulk-boundary correspondence introduced by Cirac et al. in 2011., Comment: 63 pages, Annals of Physics (2016). This version corrects an error in the statement and proof of Theorem 4.9 by slightly generalizing Definition 4.8

The concept of symmetry breaking and the emergence of corresponding local order parameters constitute the pillars of modern day many body physics. The theory of quantum entanglement is currently leading to a paradigm shift in understanding quantum correlations in many body systems and in this work we show how symmetry breaking can be understood from this wavefunction centered point of view. We demonstrate that the existence of symmetry breaking is a consequence of the geometric structure of the convex set of reduced density matrices of all possible many body wavefunctions. The surfaces of those convex bodies exhibit non-analytic behavior in the form of ruled surfaces, which turn out to be the defining signatures for the emergence of symmetry breaking and of an associated order parameter. We illustrate this by plotting the convex sets arising in the context of three paradigmatic examples of many body systems exhibiting symmetry breaking: the quantum Ising model in transverse magnetic field, exhibiting a second order quantum phase transition; the classical Ising model at finite temperature in two dimensions, which orders below a critical temperature $T_c$; and a system of free bosons at finite temperature in three dimensions, exhibiting the phenomenon of Bose-Einstein condensation together with an associated order parameter $\langle\psi\rangle$. Remarkably, these convex sets look all very much alike. We believe that this wavefunction based way of looking at phase transitions demystifies the emergence of order parameters and provides a unique novel tool for studying exotic quantum phenomena., Comment: 5 pages, 3 figures, Appendix with 2 pages, 3 figures

We investigate the relation between static correlation functions in the ground state of local quantum many-body Hamiltonians and the dispersion relations of the corresponding low energy excitations using the formalism of tensor network states. In particular, we show that the Matrix Product State Transfer Matrix (MPS-TM) - a central object in the computation of static correlation functions - provides important information about the location and magnitude of the minima of the low energy dispersion relation(s) and present supporting numerical data for one-dimensional lattice and continuum models as well as two-dimensional lattice models on a cylinder. We elaborate on the peculiar structure of the MPS-TM's eigenspectrum and give several arguments for the close relation between the structure of the low energy spectrum of the system and the form of static correlation functions. Finally, we discuss how the MPS-TM connects to the exact Quantum Transfer Matrix (QTM) of the model at zero temperature. We present a renormalization group argument for obtaining finite bond dimension approximations of MPS, which allows to reinterpret variational MPS techniques (such as the Density Matrix Renormalization Group) as an application of Wilson's Numerical Renormalization Group along the virtual (imaginary time) dimension of the system., Comment: 39 pages (+8 pages appendix), 14 figures

We present a tree-tensor-network-state (TTNS) method study of the ionic-neutral curve crossing of LiF. For this ansatz, the long-range correlation deviates from the mean-field value polynomially with distance, thus for quantum chemical applications the computational cost could be significantly smaller than that of previous attempts using the density matrix renormalization group (DMRG) method. Optimization of the tensor network topology and localization of the avoided crossing are discussed in terms of entanglement., Comment: 10 pages, 15 figures

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 the edge, we show that for topological models, the edge Hamiltonian is constrained by the topological order in the bulk which can e.g. protect a ferromagnetic Ising chain at the edge against spontaneous symmetry breaking., Comment: 5 pages, 4 figures

We investigate the use of matrix product states (MPS) to approximate ground states of critical quantum spin chains with periodic boundary conditions (PBC). We identify two regimes in the (N,D) parameter plane, where N is the size of the spin chain and D is the dimension of the MPS matrices. In the first regime MPS can be used to perform finite size scaling (FSS). In the complementary regime the MPS simulations show instead the clear signature of finite entanglement scaling (FES). In the thermodynamic limit (or large N limit), only MPS in the FSS regime maintain a finite overlap with the exact ground state. This observation has implications on how to correctly perform FSS with MPS, as well as on the performance of recent MPS algorithms for systems with PBC. It also gives clear evidence that critical models can actually be simulated very well with MPS by using the right scaling relations; in the appendix, we give an alternative derivation of the result of Pollmann et al. [Phys. Rev. Lett. 102, 255701 (2009)] relating the bond dimension of the MPS to an effective correlation length., Comment: 18 pages, 13 figures

We present a matrix product state (MPS) algorithm to approximate ground states of translationally invariant systems with periodic boundary conditions. For a fixed value of the bond dimension D of the MPS, we discuss how to minimize the computational cost to obtain a seemingly optimal MPS approximation to the ground state. In a chain of N sites and correlation length \xi, the computational cost formally scales as g(D,\xi /N)D^3, where g(D,\xi /N) is a nontrivial function. For \xi << N, this scaling reduces to D^3, independent of the system size N, making our algorithm N times faster than previous proposals. We apply the method to obtain MPS approximations for the ground states of the critical quantum Ising and Heisenberg spin-1/2 models as well as for the noncritical Heisenberg spin-1 model. In the critical case, for any chain length N, we find a model-dependent bond dimension D(N) above which the polynomial decay of correlations is faithfully reproduced throughout the entire system., Comment: 17 pages, 15 figures

We define matrix product states in the continuum limit, without any reference to an underlying lattice parameter. This allows to extend the density matrix renormalization group and variational matrix product state formalism to quantum field theories and continuum models in 1 spatial dimension. We illustrate our procedure with the Lieb-Liniger model.

The original motivation to build a quantum computer came from Feynman who envisaged a machine capable of simulating generic quantum mechanical systems, a task that is believed to be intractable for classical computers. Such a machine would have a wide range of applications in the simulation of many-body quantum physics, including condensed matter physics, chemistry, and high energy physics. Part of Feynman's challenge was met by Lloyd who showed how to approximately decompose the time-evolution operator of interacting quantum particles into a short sequence of elementary gates, suitable for operation on a quantum computer. However, this left open the problem of how to simulate the equilibrium and static properties of quantum systems. This requires the preparation of ground and Gibbs states on a quantum computer. For classical systems, this problem is solved by the ubiquitous Metropolis algorithm, a method that basically acquired a monopoly for the simulation of interacting particles. Here, we demonstrate how to implement a quantum version of the Metropolis algorithm on a quantum computer. This algorithm permits to sample directly from the eigenstates of the Hamiltonian and thus evades the sign problem present in classical simulations. A small scale implementation of this algorithm can already be achieved with today's technology, Comment: revised version

We review different descriptions of many--body quantum systems in terms of tensor product states. We introduce several families of such states in terms of known renormalization procedures, and show that they naturally arise in that context. We concentrate on Matrix Product States, Tree Tensor States, Multiscale Entanglement Renormalization Ansatz, and Projected Entangled Pair States. We highlight some of their properties, and show how they can be used to describe a variety of systems., Comment: Review paper for the special issue of J. Phys. A

This article reviews recent developments in the theoretical understanding and the numerical implementation of variational renormalization group methods using matrix product states and projected entangled pair states., Comment: Review from 2007

We propose a new method for computing the ground state properties and the time evolution of infinite chains based on a transverse contraction of the tensor network. The method does not require finite size extrapolation and avoids explicit truncation of the bond dimension along the evolution. By folding the network in the time direction prior to contraction, time dependent expectation values and dynamic correlation functions can be computed after much longer evolution time than with any previous method. Moreover, the algorithm we propose can be used for the study of some non-invariant infinite chains, including impurity models., Comment: 4 pages, 7 EPS figures, extra references and figure; accepted version

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., Comment: 8 pages, 15 figures

We introduce a class of variational states to describe quantum many-body systems. This class generalizes matrix product states which underly the density-matrix renormalization group approach by combining them with weighted graph states. States within this class may (i) possess arbitrarily long-ranged two-point correlations, (ii) exhibit an arbitrary degree of block entanglement entropy up to a volume law, (iii) may be taken translationally invariant, while at the same time (iv) local properties and two-point correlations can be computed efficiently. This new variational class of states can be thought of as being prepared from matrix product states, followed by commuting unitaries on arbitrary constituents, hence truly generalizing both matrix product and weighted graph states. We use this class of states to formulate a renormalization algorithm with graph enhancement (RAGE) and present numerical examples demonstrating that improvements over density-matrix renormalization group simulations can be achieved in the simulation of ground states and quantum algorithms. Further generalizations, e.g., to higher spatial dimensions, are outlined., Comment: 4 pages, 1 figure

We show that the existence of string order in a given quantum state is intimately related to the presence of a local symmetry by proving that both concepts are equivalent within the framework of finitely correlated states. Once this connection is established, we provide a complete characterization of local symmetries in these states. The results allow to understand in a straightforward way many of the properties of string order parameters, like their robustness/fragility under perturbations and their typical disappearance beyond strictly one-dimensional lattices. We propose and discuss an alternative definition, ideally suited for detecting phase transitions, and generalizations to two and more spatial dimensions., Comment: 5 pages, 1 figure

We present an algorithm to simulate two-dimensional quantum lattice systems in the thermodynamic limit. Our approach builds on the {\em projected entangled-pair state} algorithm for finite lattice systems [F. Verstraete and J.I. Cirac, cond-mat/0407066] and the infinite {\em time-evolving block decimation} algorithm for infinite one-dimensional lattice systems [G. Vidal, Phys. Rev. Lett. 98, 070201 (2007)]. The present algorithm allows for the computation of the ground state and the simulation of time evolution in infinite two-dimensional systems that are invariant under translations. We demonstrate its performance by obtaining the ground state of the quantum Ising model and analysing its second order quantum phase transition., Comment: 4 pages, 6 figures, 1 table. Revised version, with new diagrams and plots. The results on classical systems can now be found at arXiv:0711.3960

The Lieb-Robinson bound states that local Hamiltonian evolution in nonrelativistic quantum mechanical theories gives rise to the notion of an effective light-cone with exponentially decaying tails. We discuss several consequences of this result in the context of quantum information theory. First, we show that the information that leaks out to space-like separated regions is negligable, and that there is a finite speed at which correlations and entanglement can be distributed. Second, we discuss how these ideas can be used to prove lower bounds on the time it takes to convert states without topological quantum order to states with that property. Finally, we show that the rate at which entropy can be created in a block of spins scales like the boundary of that block., Comment: See also Eisert and Osborne, quant-ph/0603114

The projected entangled pair state (PEPS) representation of quantum states on two-dimensional lattices induces an entanglement based hierarchy in state space. We show that the lowest levels of this hierarchy exhibit an enormously rich structure including states with critical and topological properties as well as resonating valence bond states. We prove, in particular, that coherent versions of thermal states of any local 2D classical spin model correspond to such PEPS, which are in turn ground states of local 2D quantum Hamiltonians. This correspondence maps thermal onto quantum fluctuations, and it allows us to analytically construct critical quantum models exhibiting a strict area law scaling of the entanglement entropy in the face of power law decaying correlations. Moreover, it enables us to show that there exist PEPS within the same class as the cluster state, which can serve as computational resources for the solution of NP-hard problems.

We show how to map local fermionic problems onto local spin problems on a lattice in any dimension. The main idea is to introduce auxiliary degrees of freedom, represented by Majorana fermions, which allow us to extend the Jordan-Wigner transformation to dimensions higher than one. We also discuss the implications of our results in the numerical investigation of fermionic systems., Comment: Added explicit mapping

We quantify how well matrix product states approximate exact ground states of 1-D quantum spin systems as a function of the number of spins and the entropy of blocks of spins. We also investigate the convex set of local reduced density operators of translational invariant systems. The results give a theoretical justification for the high accuracy of renormalization group algorithms, and justifies their use even in the case of critical systems.

We present an algorithm for the calculation of eigenstates with definite linear momentum in quantum lattices. Our method is related to the Density Matrix Renormalization Group, and makes use of the distribution of multipartite entanglement to build variational wave--functions with translational symmetry. Its virtues are shown in the study of bilinear--biquadratic S=1 chains., Comment: Corrected version. We have added an appendix with an extended explanation of the implementation of our algorithm

We present a unified framework for renormalization group methods, including Wilson's numerical renormalization group (NRG) and White's density-matrix renormalization group (DMRG), within the language of matrix product states. This allows improvements over Wilson's NRG for quantum impurity models, as we illustrate for the one-channel Kondo model. Moreover, we use a variational method for evaluating Green's functions. The proposed method is more flexible in its description of spectral properties at finite frequencies, opening the way to time-dependent, out-of-equilibrium impurity problems. It also substantially improves computational efficiency for one-channel impurity problems, suggesting potentially \emph{linear} scaling of complexity for $n$-channel problems., Comment: revised version with application to Kondo model at large magnetic field (5 pages, 2 figures)

We describe quantum many--body systems in terms of projected entangled--pair states, which naturally extend matrix product states to two and more dimensions. We present an algorithm to determine correlation functions in an efficient way. We use this result to build powerful numerical simulation techniques to describe the ground state, finite temperature, and evolution of spin systems in two and higher dimensions.

We show how to simulate numerically both the evolution of 1D quantum systems under dissipation as well as in thermal equilibrium. The method applies to both finite and inhomogeneous systems and it is based on two ideas: (a) a representation for density operators which extends that of matrix product states to mixed states; (b) an algorithm to approximate the evolution (in real or imaginary time) of such states which is variational (and thus optimal) in nature., Comment: See also M. Zwolak et al. cond-mat/0406440

We introduce a picture to analyze the density matrix renormalization group (DMRG) numerical method from a quantum information perspective. This leads us to introduce some modifications for problems with periodic boundary conditions in which the results are dramatically improved. The picture also explains some features of the method in terms of entanglement and teleportation., Comment: 4 pages