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Computer Physics Communications
Volume 177, Issue 12, 15 December 2007, Pages 933-943
 
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doi:10.1016/j.cpc.2007.07.012    How to Cite or Link Using DOI (Opens New Window)
Copyright © 2007 Elsevier B.V. All rights reserved.

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

J. Blocha, Corresponding Author Contact Information, E-mail The Corresponding Author, A. Frommerb, B. Langb and T. Wettiga

aInstitute for Theoretical Physics, University of Regensburg, 93040 Regensburg, Germany bDepartment of Mathematics, University of Wuppertal, 42097 Wuppertal, Germany

Received 27 April 2007; 
revised 18 June 2007; 
accepted 23 July 2007. 
Available online 10 August 2007.

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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.

Keywords: Overlap Dirac operator; Quark chemical potential; Sign function; Non-Hermitian matrix; Iterative methods

PACS classification codes: 02.60.Dc; 11.15.Ha; 12.38.Gc

Article Outline

1. Introduction
2. The overlap operator and the sign function
3. Direct and iterative methods
4. Arnoldi function approximation for a non-Hermitian matrix
5. Deflation
5.1. Introduction
5.2. Schur deflation
5.3. LR-deflation
5.4. Discussion
6. Results
7. Conclusion
Acknowledgements
Appendix A. Sylvester equation
References





Computer Physics Communications
Volume 177, Issue 12, 15 December 2007, Pages 933-943
 
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