An iterative method to compute the sign function of a non-Hermitian matrix and its application to the overlap Dirac operator at nonzero chemical potential

DOI10.1016/J.CPC.2007.07.012MaRDI QIDQ710108zbMATH OpenOpenAlexFDO

Authors J. C. R. Bloch, Andreas Frommer, Bruno Lang, T. Wettig

Publication date 18 October 2010

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

Full work available at URL https://arxiv.org/abs/0704.3486

zbMATH Keywords

iterative methodsnon-Hermitian matrixsign functionoverlap Dirac operatorquark chemical potential

Mathematics Subject Classification ID

Strong interaction, including quantum chromodynamics (81V05) Quantum field theory on lattices (81T25) Numerical computation of matrix exponential and similar matrix functions (65F60)

Abstract: The overlap Dirac operator in lattice QCD requires the computation of the sign function of a matrix. While this matrix is usually Hermitian, it becomes non-Hermitian in the presence of a quark chemical potential. We show how the action of the sign function of a non-Hermitian matrix on an arbitrary vector can be computed efficiently on large lattices by an iterative method. A Krylov subspace approximation based on the Arnoldi algorithm is described for the evaluation of a generic matrix function. The efficiency of the method is spoiled when the matrix has eigenvalues close to a function discontinuity. This is cured by adding a small number of critical eigenvectors to the Krylov subspace, for which we propose two different deflation schemes. The ensuing modified Arnoldi method is then applied to the sign function, which has a discontinuity along the imaginary axis. The numerical results clearly show the improved efficiency of the method. Our modification is particularly effective when the action of the sign function of the same matrix has to be computed many times on different vectors, e.g., if the overlap Dirac operator is inverted using an iterative method.

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Cited in

(16)

• Numerical methods for the QCDd overlap operator. I: Sign-function and error bounds
• A numerical method to compute derivatives of functions of large complex matrices and its application to the overlap Dirac operator at finite chemical potential
• The Radau-Lanczos method for matrix functions
• BiCR-type methods for families of shifted linear systems
• Overlap Dirac Operator at Nonzero Chemical Potential and Random Matrix Theory
• On restarted and deflated block FOM and GMRES methods for sequences of shifted linear systems
• Short-recurrence Krylov subspace methods for the overlap Dirac operator at nonzero chemical potential
• Error bounds and estimates for Krylov subspace approximations of Stieltjes matrix functions
• Low-Rank Updates of Matrix Functions II: Rational Krylov Methods
• A comparison of limited-memory Krylov methods for Stieltjes functions of Hermitian matrices
• Numerical methods for the QCD overlap operator IV: Hybrid Monte Carlo
• Analysis of Probing Techniques for Sparse Approximation and Trace Estimation of Decaying Matrix Functions
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• Analyzing the spectrum of general, non-hermitian Dirac operators
• Restarted Hessenberg method for solving shifted nonsymmetric linear systems
• A nested Krylov subspace method to compute the sign function of large complex matrices

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