We have a strong interest in the interplay between geometrical frustrations and quantum fluctuations in the strongly correlated matter because it causes the emergence of new exotic quantum phases. For example, in the past decade, we have found a number of new Mott insulator materials on a triangular layer: Cs2CuCl4 [1] and organic charge transfer salts [2], such as κ-(BEDT-TTF)2 X and β-Z[Pd(dmit)2]2. There are geometrical frustrations and quantum fluctuations in these materials. Probably, the interplay has an important role for the disordered behaviors at very low temperatures in some materials. In order to study the low temperature property of strongly correlated matter in low-dimensional systems, we need a theoretical tool beyond the mean-field theory. The numerical approach is a candidate. Unfortunately, there are serious drawbacks in the conventional numerical methods. For example, quantum Monte Carlo (QMC) methods are powerful tools because they are unbiased. However, the weight of QMC samples can be negative in quantum frustrated magnets, leading to a cancellation in sign, and the accuracy of simulations fatally decreases (this is the so-called negative sign problem.) Exact diagonalization gives us the detail of a ground state, but it can only be applied to small systems. On the other hand, the variational method is flexible, and it is powerful if we choose the appropriate variational wave function. In the past decade, based on the study of entanglement, we discussed the new types of wave functions for quantum many-body systems. We define the probability amplitudes of these wave functions by the tensor contractions of small tensors. Since the tensor contractions can be drawn as a network, it is called a tensor network state. In this paper, we will report the performance of tensor network state for the variational study of quantum frustrated magnets. There are two major tensor network states: projected entangled pair state(PEPS) [3] and multiscale entanglement renormalization ansatz(MERA) [4]. In the following, we will focus on the MERA, and we will report the performance for S = 1/2 spatially anisotropic triangular antiferromagnets [5]. We organize this paper as follows: In Sec. 2, we will briefly introduce the tensor network. In addition, we will explain a MERA tensor network for triangular lattice models in detail. In Sec. 3, we will show the performance of MERA for the S = 1/2 antiferromagnetic Heisenberg model on a
We have a strong interest in the interplay between geometrical frustrations and quantum fluctuations in the strongly correlated matter because it causes the emergence of new exotic quantum phases. For example, in the past decade, we have found a number of new Mott insulator materials on a triangular layer: Cs2CuCl4 [1] and organic charge transfer salts [2], such as κ-(BEDT-TTF)2 X and β-Z[Pd(dmit)2]2. There are geometrical frustrations and quantum fluctuations in these materials. Probably, the interplay has an important role for the disordered behaviors at very low temperatures in some materials. In order to study the low temperature property of strongly correlated matter in low-dimensional systems, we need a theoretical tool beyond the mean-field theory. The numerical approach is a candidate. Unfortunately, there are serious drawbacks in the conventional numerical methods. For example, quantum Monte Carlo (QMC) methods are powerful tools because they are unbiased. However, the weight of QMC samples can be negative in quantum frustrated magnets, leading to a cancellation in sign, and the accuracy of simulations fatally decreases (this is the so-called negative sign problem.) Exact diagonalization gives us the detail of a ground state, but it can only be applied to small systems. On the other hand, the variational method is flexible, and it is powerful if we choose the appropriate variational wave function. In the past decade, based on the study of entanglement, we discussed the new types of wave functions for quantum many-body systems. We define the probability amplitudes of these wave functions by the tensor contractions of small tensors. Since the tensor contractions can be drawn as a network, it is called a tensor network state. In this paper, we will report the performance of tensor network state for the variational study of quantum frustrated magnets. There are two major tensor network states: projected entangled pair state(PEPS) [3] and multiscale entanglement renormalization ansatz(MERA) [4]. In the following, we will focus on the MERA, and we will report the performance for S = 1/2 spatially anisotropic triangular antiferromagnets [5]. We organize this paper as follows: In Sec. 2, we will briefly introduce the tensor network. In addition, we will explain a MERA tensor network for triangular lattice models in detail. In Sec. 3, we will show the performance of MERA for the S = 1/2 antiferromagnetic Heisenberg model on a
Strongly correlated quantum systems are one of the most interesting and challenging phenomena in modern condensed matter physics. Unfortunately, the theoretical access even to their low energy properties is limited by the exponential growth of the Hilbert space in a many-body setting. To mitigate this computational barrier, tensor network methods are one of the most competitive approaches to classically simulate complex quantum systems. In this thesis we will discuss recent developments in the field of tensor networks to efficiently and accurately simulate two-dimensional quantum many-body states in the thermodynamic limit. Hereby, we introduce the variational update globally optimizing the wave-function, encoded as tensor network in the form of an infinite projected entangled pair state (iPEPS), in order to obtain ground states of many-body Hamiltonian models. We focus in the discussion on the well-established method to approximately contract this two-dimensional structure, the corner transfer matrix renormalization group (CTMRG), and discuss its native application on square lattice and triangular lattice based models. Furthermore, we report the development of a refined numerical algorithm, the split-CTMRG, to significantly reduce its computational complexity, pushing the limits of feasible simulations within modern hardware capabilities. Finally, the method advancements are applied to a currently widely studied model of frustrated magnetism, the Heisenberg maple-leaf antiferromagnet. We are able to find a large phase of vanishing magnetization in contradiction to previous works and, to the best of our knowledge, the lowest reported variational ground state energy at the isotropic point of the model. As an outlook, we describe a potential adaption of the previously developed methods to variationally simulate two-dimensional many-body thermal states.
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.
In this thesis, we use the new numerical method multiscale entanglement
renormalization ansatz (MERA) to study the one dimensional spin system. This
method, MERA, utilizes a network of tensors to represent quantum many-body
systems on a lattice. Other examples of tensor network state are matrix product
states (MPSs) for 1D systems, tree tensor networks (TTNs) for systems with a
tree shape, and projected entangled-pair states (PEPSs) for 2D systems and be-
yond. The three structures dier in the graph that denes how the tensors are
interconnected into a network: The graphs for MPSs, TTNs, and 2D PEPSs are,
respectively, a chain, a tree, and a 2D lattice. Importantly, from these tensor
networks the expectation value of local observables can be computed eciently.
Developing algorithms to simulate quantum many-body systems is important
for understanding and studying the physical principles. And these may become
powerful tools for the analysis of quantum computation and quantum information
theory. But in general ecient simulation is dicult, due to the fundamental
quantum physical laws.
The main method we have studied and worked on is multiscale entangle-
ment renormalization ansatz (MERA) which is a variational ansatz for many-
body states. MERA is a tree tensor network for 1D, 2D systems and beyond.
We have developed code of ternary-MERA to compute the ground state energy,
expected values of local observables, and correlators for 1D lattice systems. In
a nutshell, MERA is an algorithm for entanglement renormalization which is a
numerical technique based on locally reorganizing the Hilbert space of a quantum
many-body system with the aim to reduce the amount of entanglement in its wave
function. We use this method to study 1D Ising model, XXZ model, and J1 - J2
model, and then comparing the numerical results with exact diagonalization (ED)
and density matrix renormalization group (DMRG).
Low-dimensional quantum magnets, particularly those with strong spin frustration, are characterized by their notable spin fluctuations. Nuclear magnetic resonance (NMR) serves as a sensitive probe of low-energy fluctuations that offers valuable insight into rich magnetic phases and emergent phenomena in quantum magnets. Although experimentally accessible, the numerical simulation of NMR relaxation rates, specifically the spin-lattice relaxation rate 1/T1, remains a significant challenge. Analytical continuation based on Monte Carlo calculations are hampered by the notorious negative sign for frustrated systems, and the real-time simulations incur significant costs to capture low-energy fluctuations. Here we propose computing the relaxation rate using thermal tensor networks (TTNs), which provides a streamlined approach by calculating its imaginary-time proxy. We showcase the accuracy and versatility of our methodology by applying it to one-dimensional spin chains and two-dimensional lattices, where we find that the critical exponents η and zν can be extracted from the low-temperature scalings of the simulated 1/T1 near quantum critical points. Our results also provide insights into the low-dimensional and frustrated magnetic materials, elucidating universal scaling behaviors in the Ising chain compound CoNb2O6 and revealing the renormalized classical behaviors in the triangular-lattice antiferromagnet Ba8CoNb6O24. We apply the approach to effective model of the family of frustrated magnets AYbCh2 (A = Na, K, Cs, and Ch = O, S, Se), and find dramatic changes from spin ordered to the proposed quantum spin liquid phase. Overall, with high reliability and accuracy, the TTN methodology offers a systematic strategy for studying the intricate dynamics observed across a broad spectrum of quantum magnets and related fields.
One of the most intriguing areas of physics is the study of strongly correlated many-body systems. In these kinds of systems, a large number of particles interacts via interactions that are strong enough to play a major role in determining the properties of the system, which is particularly interesting when multiple interaction terms compete and cannot be satisfied simultaneously. Examples of phases they realize range from simple magnetism to puzzling phenomena such as superconductivity or topological order. Of special interest in condensed matter are fermionic models which have an extra layer of complexity added by the possibly intricate sign structure of the wave function. \nHowever, exactly solvable models that exhibit the sought-after phenomena are scarce and Hamiltonians that are supposed to model experiments often elude analytical solutions precisely due to the strong interactions. Numerical methods are thus essential to gain insight into these systems and provide an important link between theoretical models and real world experiments. There are many different methods that in principle allow solving a problem numerically exact, most prominently exact diagonalization, tensor network based methods such as DMRG and (quantum) Monte Carlo. Exact diagonalization is certainly the most straightforward technique which allows measuring any observable of interest but its application to interacting models is severely limited by the exponential growth of the Hilbert space with the system size which only allows studying rather small systems. Tensor network methods excel in the study of gapped, one-dimensional systems and while they have shown some impressive results for two-dimensional systems, they need a lot of fine tuning and careful analysis to be considered reliable in this very important domain. Quantum Monte Carlo, on the other hand, is in principle neither limited by the size of the Hilbert space nor by the strength of the interactions and has thus been a tremendously important tool for studying condensed matter systems which is why it is the focus of this thesis. \nIt is necessary to continuously advance existing and develop new techniques to keep up with theoretical as well as with experimental progress. In this thesis, new methods to identify and characterize conventional and novel phases of matter within quantum Monte Carlo are developed and tested on archetypical models of condensed matter. \nIn the first part of this thesis, a method to study entanglement properties of strongly interacting fermionic models in quantum Monte Carlo is presented. Measurements of this kind are needed because some characteristics of a system remain hidden from conventional approaches based on the calculation of correlation functions. Prime examples are systems that realize so-called topological order entailing long-range entanglement that can be positively diagnosed using entanglement techniques. Realizing such measurements in a concrete algorithm is not straightforward for fermions. A large section of this part is thus devoted to developing a solution to the problem of implementing entanglement measurements and benchmarking the results against known data. \nThe second part is concerned with a truly novel and recent approach to the many-body problem, namely the symbiosis of machine learning and quantum Monte Carlo techniques. Out of the many different possibilities to combine the two, this part is concerne with exploring ways in which machine learning can help to effortlessly explore phase diagrams of hitherto unknown Hamiltonians. \nDespite the power and versatility of quantum Monte Carlo techniques, it does suffer from one significant weakness called the fermion sign problem. At its core related to the peculiar exchange statistics of fermions, it is in principle merely a technical problem of the Monte Carlo procedure but one that actually prohibits the use of Monte Carlo methods for a large number of interesting problems. The sign problem has been known for a long time but remains unsolved to this day. Thus, it is time to approach the problem from a different perspective with the hope of learning something new that can either help to better understand the problem itself or the properties of the models affected by it. Both of the two major research areas, entanglement measures and machine learning, are capable of providing such new perspectives and the sign problem will be revisited in more detail in the context of each of them.
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.