Convergence Analysis of a Locally Accelerated Preconditioned Steepest Descent Method for Hermitian-Definite Generalized Eigenvalue Problems
- Peking Univ., Beijing (China)
- Univ. of California, Davis, CA (United States)
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
By extending the classical analysis techniques due to Samokish, Faddeev and Faddeeva, and Longsine and McCormick among others, we prove the convergence of preconditioned steepest descent with implicit deflation (PSD-id) method for solving Hermitian-definite generalized eigenvalue problems. Moreover, 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 PSDid method for solving ill-conditioned Hermitian-definite generalized eigenvalue problems arising from electronic structure calculations. While rigorous and full-scale convergence proofs of preconditioned block steepest descent methods in practical use still largely eludes us, we postulate that the theoretical results introduced in this paper sheds light on an improved understanding of the convergence behavior of these block methods.
- Research Organization:
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
- Sponsoring Organization:
- USDOE National Nuclear Security Administration (NNSA)
- Grant/Contract Number:
- AC52-07NA27344; DMS-1522697; CCF-1527091
- OSTI ID:
- 1526870
- Report Number(s):
- LLNL-JRNL-776239; 968787
- Journal Information:
- Journal of Computational Mathematics, Vol. 36, Issue 5; ISSN 0254-9409
- Country of Publication:
- United States
- Language:
- English
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