Convergence Analysis of a Locally Accelerated Preconditioned Steepest Descent Method for Hermitian-Definite Generalized Eigenvalue Problems
Year: 2018
Author: Yunfeng Cai, Zhaojun Bai, John E. Pask, N. Sukumar
Journal of Computational Mathematics, Vol. 36 (2018), Iss. 5 : pp. 739–760
Abstract
By extending the classical analysis techniques due to Samokish, Faddeev and Faddeeva, and Longsine and McCormick among others, we prove the convergence of the preconditioned steepest descent with implicit deflation (PSD-id) method for solving Hermitian-definite generalized eigenvalue problems. Furthermore, we derive a nonasymptotic estimate of the rate of convergence of the PSD-id method. We show that with a proper choice of the shift, the indefinite shift-and-invert preconditioner is a locally accelerated preconditioner, and is asymptotically optimal that leads to superlinear convergence. Numerical examples are presented to verify the theoretical results on the convergence behavior of the PSD-id method for solving ill-conditioned Hermitian-definite generalized eigenvalue problems arising from electronic structure calculations. While rigorous and full-scale convergence proofs of the preconditioned block steepest descent methods in practical use still largely elude us, we believe the theoretical results presented in this paper shed light on an improved understanding of the convergence behavior of these block methods.
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Journal Article Details
Publisher Name: Global Science Press
Language: English
DOI: https://doi.org/10.4208/jcm.1703-m2016-0580
Journal of Computational Mathematics, Vol. 36 (2018), Iss. 5 : pp. 739–760
Published online: 2018-01
AMS Subject Headings:
Copyright: COPYRIGHT: © Global Science Press
Pages: 22
Keywords: Eigenvalue problem Steepest descent method Preconditioning Superlinear convergence.
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