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arXiv:1010.3595 · Physical Review B

Implementing global Abelian symmetries in projected entangled-pair state algorithms

Bela Bauer, Philippe Corboz, Román Orús, Matthias Troyer

Published Mar 18, 2011• 126 citations
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Abstract

Due to the unfavorable scaling of tensor-network methods with the refinement parameter $M$, new approaches are necessary to improve the efficiency of numerical simulations based on such states, in particular for gapless, strongly entangled systems. In one-dimensional density matrix renormalization group methods, the use of Abelian symmetries has led to large computational gain. In higher-dimensional tensor networks, this is associated with significant technical efforts and additional approximations. We explain a formalism to implement such symmetries in two-dimensional tensor-network states and present benchmark results that confirm the validity of these approximations in the context of projected entangled-pair state algorithms.

DOI
10.1103/physrevb.83.125106

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Due to the unfavorable scaling of tensor-network methods with the refinement parameter MMM, new approaches are necessary to improve the efficiency of numerical simulations based on such states, in particular for gapless, strongly entangled systems. In one-dimensional density matrix renormalization group methods, the use of Abelian symmetries has led to large computational gain. In higher-dimensional tensor networks, this is associated with significant technical efforts and additional approximations. We explain a formalism to implement such symmetries in two-dimensional tensor-network states and present benchmark results that confirm the validity of these approximations in the context of projected entangled-pair state algorithms.
Exploiting symmetries in tensor network algorithms plays a key role for reducing the computational and memory costs. Here we explain how to incorporate the Hermitian symmetry in double-layer tensor networks, which naturally arise in methods based on projected entangled-pair states. For real-valued tensors the Hermitian symmetry defines a Z2{\mathbb{Z}}_{2}Z2​ symmetry on the combined bra and ket auxiliary level of the tensors. By implementing this symmetry, a speedup of the computation time by up to a factor 4 can be achieved, while expectation values of observables and reduced density matrices remain Hermitian by construction. Benchmark results based on the corner transfer matrix renormalization group and higher-order tensor renormalization group are presented. We also discuss how to implement the Hermitian symmetry in the complex case, where a similar speedup can be achieved.
Tensor network states are for good reasons believed to capture ground states of gapped local Hamiltonians arising in the condensed matter context, states which are in turn expected to satisfy an entanglement area law. However, the computational hardness of contracting projected entangled pair states in two- and higher-dimensional systems is often seen as a significant obstacle when devising higher-dimensional variants of the density-matrix renormalization group method. In this work, we show that for those projected entangled pair states that are expected to provide good approximations of such ground states of local Hamiltonians, one can compute local expectation values in quasipolynomial time. We therefore provide a complexity-theoretic justification of why state-of-the-art numerical tools work so well in practice. We finally turn to the computation of local expectation values on quantum computers, providing a meaningful application for a small-scale quantum computer.
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 implement and benchmark tensor network algorithms with SU(2)SU(2)SU(2) symmetry for systems in two spatial dimensions and in the thermodynamic limit. Specifically, we implement SU(2)SU(2)SU(2)-invariant versions of the infinite projected entangled pair states and infinite projected entangled simplex states methods. Our implementation of SU(2)SU(2)SU(2) symmetry follows the formalism based on fusion trees from Schmoll et al. [Ann. Phys. 419, 168232 (2020)]. In order to assess the utility of implementing SU(2)SU(2)SU(2) symmetry, the algorithms are benchmarked for three models with different local spin: the spin-1 bilinear-biquadratic model on the square lattice, and the kagome Heisenberg antiferromagnets (KHAFs) for spin-1/21/21/2 and spin-2. We observe that the implementation of SU(2)SU(2)SU(2) symmetry provides better energies in general than nonsymmetric simulations, with smooth scalings with respect to the number of parameters in the ansatz, and with the actual improvement depending on the specifics of the model. In particular, for the spin-2 KHAF model, our SU(2)SU(2)SU(2) simulations are compatible with a quantum spin-liquid ground state.
Tensor network decompositions offer an efficient description of certain many-body states of a lattice system and are the basis of a wealth of numerical simulation algorithms. In a recent paper [Phys. Rev. A 82, 050301 (2010)] we discussed how to incorporate a global internal symmetry, given by a compact, completely reducible group G\mathcal{G}G, into tensor network decompositions and algorithms. Here we specialize to the case of Abelian groups and, for concreteness, to a U(1) symmetry, associated, e.g., with particle number conservation. We consider tensor networks made of tensors that are invariant (or covariant) under the symmetry, and explain how to decompose and manipulate such tensors in order to exploit their symmetry. In numerical calculations, the use of U(1)-symmetric tensors allows selection of a specific number of particles, ensures the exact preservation of particle number, and significantly reduces computational costs. We illustrate all these points in the context of the multiscale entanglement renormalization Ansatz.
Tensor network algorithms have proven to be very powerful tools for studying one- and two-dimensional quantum many-body systems. However, their application to three-dimensional (3D) quantum systems has so far been limited, mostly because the efficient contraction of a 3D tensor network is very challenging. In this paper, we develop and benchmark two contraction approaches for infinite projected entangled-pair states (iPEPS) in 3D. The first approach is based on a contraction of a finite cluster of tensors including an effective environment to approximate the full 3D network. The second approach performs a full contraction of the network by first iteratively contracting layers of the network with a boundary iPEPS, followed by a contraction of the resulting quasi-2D network using the corner transfer matrix renormalization group. Benchmark data for the Heisenberg and Bose-Hubbard models on the cubic lattice show that the algorithms provide competitive results compared to other approaches, making iPEPS a promising tool to study challenging open problems in 3D.