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arXiv:1701.03872 · Physical review. B./Physical review. B

Symmetric minimally entangled typical thermal states for canonical and grand-canonical ensembles

Moritz Binder, Thomas Barthel

Published May 22, 2017• 25 citations
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Abstract

Based on the density matrix renormalization group (DMRG), strongly correlated quantum many-body systems at finite temperatures can be simulated by sampling over a certain class of pure matrix product states (MPS) called minimally entangled typical thermal states (METTS). When a system features symmetries, these can be utilized to substantially reduce MPS computation costs. It is conceptually straightforward to simulate canonical ensembles using symmetric METTS. In practice, it is important to alternate between different symmetric collapse bases to decrease autocorrelations in the Markov chain of METTS. To this purpose, we introduce symmetric Fourier and Haar-random block bases that are efficiently mixing. We also show how grand-canonical ensembles can be simulated efficiently with symmetric METTS. We demonstrate these approaches for spin-$1/2$ $XXZ$ chains and discuss how the choice of the collapse bases influences autocorrelations as well as the distribution of measurement values and, hence, convergence speeds.

DOI
10.1103/physrevb.95.195148

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Based on the density matrix renormalization group (DMRG), strongly correlated quantum many-body systems at finite temperatures can be simulated by sampling over a certain class of pure matrix product states (MPS) called minimally entangled typical thermal states (METTS). When a system features symmetries, these can be utilized to substantially reduce MPS computation costs. It is conceptually straightforward to simulate canonical ensembles using symmetric METTS. In practice, it is important to alternate between different symmetric collapse bases to decrease autocorrelations in the Markov chain of METTS. To this purpose, we introduce symmetric Fourier and Haar-random block bases that are efficiently mixing. We also show how grand-canonical ensembles can be simulated efficiently with symmetric METTS. We demonstrate these approaches for spin-1/21/21/2 XXZXXZXXZ chains and discuss how the choice of the collapse bases influences autocorrelations as well as the distribution of measurement values and, hence, convergence speeds.
We discuss a method based on sampling minimally entangled typical thermal states (METTS) that can simulate finite temperature quantum systems with a computational cost comparable to the ground state density matrix renormalization group (DMRG). Detailed implementation of each step of the method is presented, along with efficient algorithms for working with matrix product states and matrix product operators. Furthermore, we explore how the properties of METTS can reveal characteristic order and excitations of systems and discuss why METTS form an efficient basis for sampling. Finally, we explore the extent to which the average entanglement of a METTS ensemble is minimal.
Finite temperature problems in the strong correlated systems are important but challenging tasks. Minimally entangled typical thermal states (METTS) are a powerful method in the framework of tensor network methods to simulate finite temperature systems, including Fermions and frustrated spins which introduce a sign problem in the typical Monte Carlo methods. In this work, we introduce an extension of the METTS algorithm by using a new basis, the auxiliary matrix product state. This new basis achieves the pre-summation process in the partition function, and thus improve the convergence in the Monte Carlo samplings. The method also has the advantage of simulating the grand canonical ensemble in a computationally efficient way by employing good quantum numbers. We benchmark our method on the spin-1/21/21/2 XXZ model on the triangular lattice, and show that the new method outperforms the original METTS as well as the purification methods at sufficiently low temperature, the usual range of applications of METTS. The new method also naturally connects the METTS method to the purification method.
We discuss a method based on sampling minimally entangled typical thermal states (METTS) that can simulate finite temperature quantum systems with a computational cost comparable to ground state DMRG. Detailed implementations of each step of the method are presented, along with efficient algorithms for working with matrix product states and matrix product operators. We furthermore explore how properties of METTS can reveal characteristic order and excitations of systems and discuss why METTS form an efficient basis for sampling. Finally, we explore the extent to which the average entanglement of a METTS ensemble is minimal.
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Minimally Entangled Typical Thermal States for Classical and Quantum Simulation of 1+1-Dimensional Z2\mathbb Z_2Z2​ Lattice Gauge Theory at Finite Temperature and Density
Simulating strongly coupled gauge theories at finite temperature and density is a longstanding challenge in nuclear and high-energy physics that also has fundamental implications for condensed matter physics. In this work, we use minimally entangled typical thermal state (METTS) approaches to facilitate both classical and quantum computational studies of such systems. METTS techniques combine classical random sampling with imaginary time evolution, which can be performed on either a classical or a quantum computer, to estimate thermal averages of observables. We study 1+1-dimensional Z2\mathbb{Z}_2Z2​ gauge theory coupled to spinless fermionic matter, which maps onto a local quantum spin chain. We benchmark both a classical matrix-product-state implementation of METTS and a recently proposed adaptive variational approach that is a promising candidate for implementation on near-term quantum devices, focusing on the equation of state as well as on various measures of fermion confinement. Of particular importance is the choice of basis for obtaining new METTS samples, which impacts both the classical sampling complexity (a key factor in both classical and quantum simulation applications) and complexity of circuits used in the quantum computing approach. Our work sets the stage for future studies of strongly coupled gauge theories with both classical and quantum hardware.
The minimally entangled typical thermal states (METTS) are an ensemble of pure states, equivalent to the Gibbs thermal state, designed with an efficient tensor network representation in mind. In this article, we use the projected entangled pair states (PEPS) as their representation on a two-dimensional (2D) lattice. Unlike matrix product states (MPS), which for 2D systems are limited by an exponential computational barrier in the lattice size, PEPS provides a more tractable approach. To substantiate the prowess of PEPS in modeling METTS (dubbed PEPS-METTS), we benchmark it against the purification method in the context of the 2D quantum Ising model at its critical temperature. Our analysis reveals that PEPS-METTS achieves accurate results with significantly lower bond dimensions. We further corroborate this finding in the 2D Fermi-Hubbard model. At a technical level, we introduce an efficient zipper method to obtain PEPS boundary MPS needed to compute expectation values and perform sampling. The imaginary time evolution is done with the neighborhood tensor update.