The classical simulation of many-body quantum systems is an essential tool in understanding many fundamental aspects of condensed matter physics. But a major obstacle arises from the number of degrees of freedom involved in describing such systems, which is exponential in the system size. Recently, however, a class of numerical techniques based on structures called "tensor networks" has emerged, which allows many "typical" quantum states (such as the ground states of gapped, local Hamiltonians) to be represented much more efficiently. In this work we extend and apply these techniques to consider several central topics in quantum many-body physics. After reviewing the relevant background material from the field of tensor networks and tensor network states, we demonstrate a method for computing high order moments and cumulants of operators with respect to such states, including the so-called "Binder cumulant," a powerful tool for detecting phase transitions. Next, we employ tensor network algorithms to characterize the ground state phase diagram of a quantum spin model, including both symmetry-breaking phases and symmetry protected topological order, and find a signicant variety of phases and phase transitions. Finally, we consider the entanglement properties of quantum states exhibiting many-body localization, using a combination of exact diagonalization and tensor network techniques. | 231 pages
The classical simulation of many-body quantum systems is an essential tool in understanding many fundamental aspects of condensed matter physics. But a major obstacle arises from the number of degrees of freedom involved in describing such systems, which is exponential in the system size. Recently, however, a class of numerical techniques based on structures called "tensor networks" has emerged, which allows many "typical" quantum states (such as the ground states of gapped, local Hamiltonians) to be represented much more efficiently. In this work we extend and apply these techniques to consider several central topics in quantum many-body physics. After reviewing the relevant background material from the field of tensor networks and tensor network states, we demonstrate a method for computing high order moments and cumulants of operators with respect to such states, including the so-called "Binder cumulant," a powerful tool for detecting phase transitions. Next, we employ tensor network algorithms to characterize the ground state phase diagram of a quantum spin model, including both symmetry-breaking phases and symmetry protected topological order, and find a signicant variety of phases and phase transitions. Finally, we consider the entanglement properties of quantum states exhibiting many-body localization, using a combination of exact diagonalization and tensor network techniques. | 231 pages
Strongly correlated systems exhibit phenomena -- such as high-T_c superconductivity or the fractional quantum Hall effect -- that are not explicable by classical and semi-classical methods. Moreover, due to the exponential scaling of the associated Hilbert space, solving the proposed model Hamiltonians by brute-force numerical methods is bound to fail. Thus, it is important to develop novel numerical and analytical methods that can explain the physics in this regime. Tensor Network states are quantum many-body states that help to overcome some of these difficulties by defining a family of states that depend only on a small number of parameters. Their use is twofold: they are used as variational ansatzes in numerical algorithms as well as providing a framework to represent a large class of exactly solvable models that are believed to represent all possible phases of matter. The present thesis investigates mathematical properties of these states thus deepening the understanding of how and why Tensor Networks are suitable for the description of quantum many-body systems. It is believed that tensor networks can represent ground states of local Hamiltonians, but how good is this representation? This question is of fundamental importance as variational algorithms based on tensor networks can only perform well if any ground state can be approximated efficiently in such a way. While any state can be written as a tensor network state, the number of parameters needed for the description might be too large. This is not the case for one-dimensional systems: only a few parameters are required to have a good approximation of their ground states; that, in turn, allows for numerical algorithms based on tensor networks performing well. The situation in two dimensions is somewhat more complicated, but it is known that ground states of local Hamiltonians can be expressed as tensor networks with sub-exponentially many parameters. In the present thesis, we improve on these existing bounds strengthening the claim that the language of tensor networks is suitable to describe many-body systems. Another central question is how symmetries of the system such as translational invariance, time-reversal symmetry or local unitary symmetry can be reflected in tensor networks. This question is important as systems appearing in nature might intrinsically possess certain symmetries; on one hand, understanding these symmetries simplifies the description of these systems. On the other hand, the presence of symmetries leads to the appearance of novel phases -- symmetry-protected topological (SPT) order, -- and tensor networks provide the right language to classify these phases. In one dimension and for certain classes of two-dimensional tensor networks (states generated by so-called injective tensors) it is well understood how symmetries of the state can be described. A general framework, however, has yet to be developed. In the present thesis, we contribute to the development of the theory in two ways. We first investigate the question for injective tensors, and generalize the existing proof for any geometry including the hyperbolic geometry used in the AdS/CFT correspondence. Second, we introduce a class of tensor network states that include previously known examples of states exhibiting SPT order. We show how symmetries are reflected in these states thus deepening the understanding of SPT order in two dimensions.
Understanding many-body quantum systems is one of the most challenging problems in contemporary condensed-matter physics. Tensor network representation of quantum states and operators are taking central stage in this pursuit and beyond. They prove to be a powerful numerical and conceptual tool, and indeed a new language altogether. This thesis investigates various aspects of these representations by focusing on two specific problems: the first half of the thesis is devoted to examining how 'stable' a tensor network representation is for two-dimensional quantum states with topological order, and the second half explores the representability of various unitary loop operators with tensor networks. In the numerical usage of the tensor networks, the tensor is varied as to find the representation of the ground states of the given Hamiltonian. In chapter two and three of this thesis we show that such a numerical program for topological phases can be 'ill-posed'. We show that tensor network can be an unstable representation for a topological phase: even an infinitesimal variation in the representation results in the loss of topological order, completely or partially. We diagnose this problem by identifying the exact causes of this instability, and find that it is only tensor variations in certain directions that result in instability, because they result in the condensation of bosonic quasi-particles of the phase. Such unstable variations are characterized by two properties: (1) they can replace a tensor in the tensor network without making the network collapse, and (2) their presence in the network represents the presence of a non-trivial topological charge. We prove that the general tensor representation of all string-net models suffer with such instabilities. We propose an exact mathematical operator to project out all such unstable variations and show its efficacy for a few models by direct calculations. Such an operator can be useful in numerical programs involving such tensor representations. We also point out that such variations play a crucial role in simulating topological phase transitions and their presence can be vital in an accurate simulation. In chapter four and five of this thesis we focus on the representability of unitary loop operators by tensor networks. Such operators not only provide an important tool in the study of dynamical process in one-dimensional systems, but also in understanding and classification of symmetry protected topological phases in two dimensions. To characterize all such operators, we find a necessary and sufficient condition for any loop tensor network operator of a given length to represent a unitary operator. In particular, it is shown that all unitary operators that map local operators to local operators (locality-preserving) can always be represented by a tensor network. Locality-preserving unitary loop operators are classified by a rational index called the GNVW index defined in Ref. [1] which measures how much information 'flows' along the loop. We define Rank-Ratio index for tensor network operators and show that it is completely equivalent to the GNVW index. Therefore, GNVW index of a unitary operator can be easily extracted from its tensor network representation. We find that, other than representing locality-preserving unitary maps, tensor networks can also represent unitary operators that map local operators to global (non-local) operators. These tensor network operators are found to have a long-ranged order similar to tensors that represent topological tensor network states in two dimensions.
The study of interacting quantum many-body systems is one of the central challenges in modern physics. Interestingly, by understanding the physical properties of such systems from a microscopic description, one can explain many complex quantum phenomena such as the high-temperature superconductivity, fractional quantum Hall effect, etc. However, due to high complexity of these systems, theoretical investigations such as analytical and perturbation theories are limited to studying only a small subset of problems. In the past few decades, numerical simulation has emerged as an indispensable method for studying many phenomena, and has led to immense success and progress in recent years. The main obstacle in addressing quantum many-body systems is that the number of parameters required to represent a state of the system scales exponentially with the system size. However, one hardly needs the full Hilbert space but only a small subspace to describe physical properties of the system. From the point of view in quantum information theory, quantum entanglement is one of the main factors that is responsible for the complexity of studying quantum many-body systems. In particular, the amount of quantum entanglement in such system quantifies the correlation between constituents and therefore it determines how big the subspace is required to represent the system. In this thesis, we are interested in using tensor network states, a new emerging numerical technique to study dynamical and ground state properties of the system. The key ingredient is that a tensor network state which consists of a fairly small number of parameters can represent very well the complete wave function of a system. In one spatial dimension, Matrix Product State (MPS) has become a standard tool, combined with related algorithms such as Time Evolving Block Decimation algorithm (TEBD) to study dynamical properties of a locally-perturbed quantum lattice system. In this thesis, we introduce a technique called ``infinite boundary conditions'' that allows us to use a finite-size MPS to represent the state of an infinite-size system. As a result, one can simulate dynamics of a system for a longer time with a significant computational cost reduction compared to traditional methods. In two spatial dimensions, the tensor network known as Projected Entangled Pair States (PEPS) is emerging as a useful approach. However algorithms for optimizing the matrix elements of these tensors are complex and not very efficient. In particular, the efficiency of the optimization depends critically on the quality of the so-called ``environment'', which is expensive to compute. We have introduced a new method to accelerate the convergence of calculating the PEPS ground state by recycling the environment tensors for many optimization steps, vastly reducing the number of times that the full environment needs to be calculated.
This thesis treats the classical simulation of strongly-interacting many-body quantum-mechanical systems in more than one dimension using matrix product states and the more general tensor product states. Contrary to classical systems, quantum many-body systems possess an exponentially larger number of degrees of freedom, thereby significantly complicating their numerical treatment on a classical computer. For this thesis two different representations of quantum many-body states were employed. The first, the so-called matrix product states (MPS) form the basis for the extremely successful density matrix renormalization group (DMRG) algorithm. While originally conceived for one-dimensional systems, MPS are in principle capable of describing arbitrary quantum many-body states. Using concepts from quantum information theory it is possible to show that MPS provide a representation of one-dimensional quantum systems that scales polynomially in the number of particles, therefore allowing an efficient simulation of one-dimensional systems on a classical computer. One of the key results of this thesis is that MPS representations are indeed efficient enough to describe even large systems in two dimensions, thereby enabling the simulation of such systems using DMRG. As a demonstration of the power of the DMRG algorithm, it is applied to the Heisenberg antiferromagnet with spin S=1/2 on the kagome lattice. This model's ground state has long been under debate, with proposals ranging from static spin configurations to so-called quantum spin liquids, states where quantum fluctuations destroy conventional order and give rise to exotic quantum orders. Using a fully SU(2)-symmetric implementation allowed us to handle the exponential growth of entanglement and to perform a large-scale study of this system, finding the ground state for cylinders of up to 700 sites. Despite employing a one-dimensional algorithm for a two-dimensional system, we were able to compute the spin gap (i.e. the energy gap to the first spinful excitation) and study the ground state properties, such as the decay of correlation functions, the static spin structure factors, and the structure and distribution of the nearest-neighbor spin-spin correlations. Additionally, by applying a new tool from quantum information theory, the topological entanglement entropy, we could also with high confidence demonstrate the ground state of this model to be the elusive gapped Z2 quantum spin liquid with topological order. To complement this study, we also considered the extension of MPS to higher dimensions, known as tensor product states (TPS). We implemented an optimization algorithm exploiting symmetries for this class of states and applied it to the bilinear-biquadratic-bicubic Heisenberg model with spin S=3/2 on the z=3 Bethe lattice. By carefully analyzing the simulation data we were able to determine the presence of both conventional and symmetry-protected topological order in this model, thereby demonstrating the analytically predicted existence of the Haldane phase in higher dimensions within an extended region of the phase diagram. Key properties of this symmetry-protected topological order include a doubling of the levels in the entanglement spectrum and the presence of edge spins, both of which were confirmed in our simulations. This finding simultaneously validated the applicability of the novel TPS algorithms to the search for exotic order.
Emergent phenomena of interacting quantum many-body systems arguably pose some of the greatest challenges to modern theoretical physics. Many of these systems are characterized by drastic changes in their properties as they are driven into a regime where quantum effects and interactions become relevant. Examples are the fractional quantum Hall effect and high-temperature superconductors, to name just two. New theoretical tools are necessary to study such systems, as even simple model Hamiltonians are not fully understood after decades of intense research. Numerical simulations are emerging as an indispensable tool alongside more traditional analytic approaches and have seen immense progress in recent years. In this thesis, we study tensor network states, a new class of numerical methods that have been developed in recent years drawing on insights from quantum information theory. Combining renormalization group methods with knowledge about the entanglement structure of ground states of quantum systems, tensor network states aim to efficiently describe ground states of strongly correlated quantum systems. Center stage is taken by the projected entangled-pair states. This ansatz for two-dimensional systems is discussed in detail and its capabilities are assessed by comparison to established methods and by exploring a frustrated system. We then develop a general formalism to exploit Abelian symmetries in a tensor network algorithm and demonstrate its application to projected entangled-pair states. A large part of this thesis is devoted to the discussion of a class of supersymmetric models for interacting lattice fermions. After introducing the concept of supersymmetry in quantum mechanics and an extensive overview of conformal field theory and its relation to numerical simulations, we study the critical theory of the supersymmetric model on the square ladder. We use two tensor network state algorithms, the density-matrix renormalization group and multi-scale entanglement renormalization along with exact diagonalization to explore this challenging system. In the final two chapters, we discuss two applications of tensor network states, namely simulations of the SU(3) Heisenberg model in two dimensions using two different tensor network state algorithms with the goal of illuminating the nature of its ground state, and the indistinguishability, a measure to detect phase transitions and classify wave functions which is particularly suitable for calculations based on tensor network states.
We present a numerical scheme for efficiently extracting the higher-order moments and cumulants of various operators on spin systems represented as tensor product states, for both finite and infinite systems, and present several applications for such quantities. For example, the second cumulant of the energy of a state, $\ensuremath{\langle}\mathrm{\ensuremath{\Delta}}{H}^{2}\ensuremath{\rangle}$, gives a straightforward method to check the convergence of numerical ground-state approximation algorithms. Additionally, we discuss the use of moments and cumulants in the study of phase transitions. Of particular interest is the application of our method to calculate the so-called Binder cumulant, which we use to detect critical points and study the critical exponent of the correlation length with only small finite numerical calculations. We apply these methods to study the behavior of a family of one-dimensional models (the transverse Ising model, the spin-1 Ising model, and the spin-1 Ising model in a crystal field), as well as the two-dimensional Ising model on a square lattice. Our results show that in one dimension, cumulant-based methods can produce precise estimates of the critical points at a low computational cost. The method shows promise for two-dimensional systems as well.