Calculating elements of matrix functions using divided differences

DOI10.1016/J.CPC.2021.108219MaRDI QIDQ6156982zbMATH OpenFDO

Authors Lev Yu. Barash, Stefan Güttel, Itay Hen

Publication date 19 June 2023

Published in Computer Physics Communications (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/2107.14124

zbMATH Keywords

divided differencesmatrix exponentialmatrix functionsoff-diagonal series expansionquantum transition amplitudestransverse-field Ising model

Mathematics Subject Classification ID

Determinants, permanents, traces, other special matrix functions (15A15) Matrix exponential and similar functions of matrices (15A16) Many-body theory; quantum Hall effect (81V70) Lattice systems (Ising, dimer, Potts, etc.) and systems on graphs arising in equilibrium statistical mechanics (82B20)

Abstract: We introduce a method for calculating individual elements of matrix functions. Our technique makes use of a novel series expansion for the action of matrix functions on basis vectors that is memory efficient even for very large matrices. We showcase our approach by calculating the matrix elements of the exponential of a transverse-field Ising model and evaluating quantum transition amplitudes for large many-body Hamiltonians of sizes up to $2^{64}imes{2}^{64}$ on a single workstation. We also discuss the application of the method to matrix inverses. We relate and compare our method to the state-of-the-art and demonstrate its advantages. We also discuss practical applications of our method.

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Cites work

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Cited in

(4)

• A Matrix Approach to the Newton Formula and Divided Differences
• Calculating the divided differences of the exponential function by addition and removal of inputs
• Computational graphs for matrix functions
• Advanced measurement techniques in quantum Monte Carlo: the permutation matrix representation approach

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