This review elaborates on the foundation, the advantages, and the prospects of tensor network representations for quantum states in vibrational spectroscopy. The focus is on the recently introduced matrix product state decomposition of nuclear quantum states and its optimization by the density matrix renormalization group algorithm.
We review the development of numerical renormalization group methods,including Wilson's numerical renormalization group,White's density matrix renormalization group,and several recent rapidly developing tensor network state-based algorithms.Among these,particular emphasis is laid on the linearized tensor renormalization group method,which was recently proposed to accurately calculate the thermodynamic properties of quantum many-body lattice systems,and which may have broad applications in both one-and two-dimensional quantum systems.
We investigate tree tensor network states for quantum chemistry. Tree tensor network states represent one of the simplest generalizations of matrix product states and the density matrix renormalization group. While matrix product states encode a one-dimensional entanglement structure, tree tensor network states encode a tree entanglement structure, allowing for a more flexible description of general molecules. We describe an optimal tree tensor network state algorithm for quantum chemistry. We introduce the concept of half-renormalization which greatly improves the efficiency of the calculations. Using our efficient formulation we demonstrate the strengths and weaknesses of tree tensor network states versus matrix product states. We carry out benchmark calculations both on tree systems (hydrogen trees and π-conjugated dendrimers) as well as non-tree molecules (hydrogen chains, nitrogen dimer, and chromium dimer). In general, tree tensor network states require much fewer renormalized states to achieve the same accuracy as matrix product states. In non-tree molecules, whether this translates into a computational savings is system dependent, due to the higher prefactor and computational scaling associated with tree algorithms. In tree like molecules, tree network states are easily superior to matrix product states. As an illustration, our largest dendrimer calculation with tree tensor network states correlates 110 electrons in 110 active orbitals.
Tensor networks (TNs) have become one of the most essential building blocks for various fields of theoretical physics such as condensed matter theory, statistical mechanics, quantum information, and quantum gravity. This review provides a unified description of a series of developments in the TN from the statistical mechanics side. In particular, we begin with the variational principle for the transfer matrix of the 2D Ising model, which naturally leads us to the matrix product state (MPS) and the corner transfer matrix (CTM). We then explain how the CTM can be evolved to such MPS-based approaches as density matrix renormalization group (DMRG) and infinite time-evolved block decimation. We also elucidate that the finite-size DMRG played an intrinsic role for incorporating various quantum information concepts in subsequent developments in the TN. After surveying higher-dimensional generalizations like tensor product states or projected entangled pair states, we describe tensor renormalization groups (TRGs), which are a fusion of TNs and Kadanoff-Wilson type real-space renormalization groups, focusing on their fixed point structures. We then discuss how the difficulty in TRGs for critical systems can be overcome in the tensor network renormalization and the multi-scale entanglement renormalization ansatz.
Renormalization group theory of tensor network states provides a powerful tool for studying quantum many-body problems and a new paradigm for understanding entangled structures of complex systems. In recent decades the theory has rapidly evolved into a universal framework and language employed by researchers in fields ranging from condensed matter theory to machine learning. This book presents a pedagogical and comprehensive introduction to this field for the first time. After an introductory survey on the major advances in tensor network algorithms and their applications, it introduces step-by-step the tensor network representations of quantum states and the tensor-network renormalization group methods developed over the past three decades. Basic statistical and condensed matter physics models are used to demonstrate how the tensor network renormalization works. An accessible primer for scientists and engineers, this book would also be ideal as a reference text for a graduate course in this area.
Tensor network algorithms have been remarkably successful solving a variety of problems in quantum many-body physics. However, algorithms to optimize two-dimensional tensor networks known as PEPS lack many of the aspects that make the seminal density matrix renormalization group (DMRG) algorithm so powerful for optimizing one-dimensional tensor networks known as matrix product states. We implement a framework for optimizing two-dimensional PEPS tensor networks which includes all of steps that make DMRG so successful for optimizing one-dimension tensor networks. We present results for several 2D spin models and discuss possible extensions and applications.
Tensor network (TN), a young mathematical tool of high vitality and great potential, has been undergoing extremely rapid developments in the last two decades, gaining tremendous success in condensed matter physics, atomic physics, quantum information science, statistical physics, and so on. In this lecture notes, we focus on the contraction algorithms of TN as well as some of the applications to the simulations of quantum many-body systems. Starting from basic concepts and definitions, we first explain the relations between TN and physical problems, including the TN representations of classical partition functions, quantum many-body states (by matrix product state, tree TN, and projected entangled pair state), time evolution simulations, etc. These problems, which are challenging to solve, can be transformed to TN contraction problems. We present then several paradigm algorithms based on the ideas of the numerical renormalization group and/or boundary states, including density matrix renormalization group, time-evolving block decimation, coarse-graining/corner tensor renormalization group, and several distinguished variational algorithms. Finally, we revisit the TN approaches from the perspective of multi-linear algebra (also known as tensor algebra or tensor decompositions) and quantum simulation. Despite the apparent differences in the ideas and strategies of different TN algorithms, we aim at revealing the underlying relations and resemblances in order to present a systematic picture to understand the TN contraction approaches.