Computing several eigenpairs of Hermitian problems by conjugate gradient iterations

Journal Article · Thu Nov 20 00:00:00 EST 2008 · Journal of Computational Physics

DOI:https://doi.org/10.1016/j.jcp.2008.06.038· OSTI ID:21167737

Ovtchinnikov, E.E. ^[1]

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1. Harrow School of Computer Science, University of Westminster, Watford Road, Northwick Park, London HA1 3TP (United Kingdom), E-mail: [e-mail]

The paper is concerned with algorithms for computing several extreme eigenpairs of Hermitian problems based on the conjugate gradient method. We analyse computational strategies employed by various algorithms of this kind reported in the literature and identify their limitations. Our criticism is illustrated by numerical tests on a set of problems from electronic structure calculations and acoustics.

• OSTI ID: 21167737
• Journal Information: Journal of Computational Physics, Vol. 227, Issue 22; Other Information: DOI: 10.1016/j.jcp.2008.06.038; PII: S0021-9991(08)00363-X; Copyright (c) 2008 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9991
• Country of Publication: United States
• Language: English

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
ACOUSTICS
ALGORITHMS
CALCULATION METHODS
EIGENVALUES
ELECTRONIC STRUCTURE