Computing several eigenpairs of Hermitian problems by conjugate gradient iterations

Authors:
E. E. Ovtchinnikov
Affiliations:
Harrow School of Computer Science, University of Westminster, Watford Road, Northwick Park, London HA1 3TP, UK
Venue:
Journal of Computational Physics
Year:
2008

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Abstract

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.