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arXiv:1008.4303

Finite Temperature Matrix Product State Algorithms and Applications

Michael L. Wall, Lincoln D. Carr

Published Aug 25, 2010• 0 citations
arXivHTMLPDF

Abstract

We review the basic theory of matrix product states (MPS) as a numerical variational ansatz for time evolution, and present two methods to simulate finite temperature systems with MPS: the ancilla method and the minimally entangled typical thermal state method. A sample calculation with the Bose-Hubbard model is provided.
DOI
10.48550/arxiv.1008.4303

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We review the basic theory of matrix product states (MPS) as a nu-merical variational ansatz for time evolution, and present two methods to simulate finite temperature systems with MPS: the ancilla method and the minimally entangled typical thermal state method. A sample calculation with the Bose-Hubbard model is provided. The dimension of the Hilbert space for a general many-body system in-creases exponentially with the system size, severely restricting the sizes which are amenable to straightforward numerical study. Several techniques have been developed to deal with this fact, such as the stochastic sam-
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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.
Abstract We present several features of a thermal pure quantum matrix product state (TPQ-MPS). TPQ-MPS can simulate finite temperature quantum many-body systems with a numerical cost comparable to the matrix product algorithm for the ground state in one-dimensional systems. Starting from a random matrix product state with auxiliary sites attached to the edges of the system, we successively operate the Hamiltonian with a shift-constant and obtain a series of TPQ-MPS that represents the microcanonical pure state at the highest temperature to the one at the lowest available temperature. How the parameters of the TPQ-MPS protocol influence the effective bond dimension χ of the matrix and the temperature distribution of these microcanonical states is examined.
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