CALCULATION OF CLUSTERED EIGENVALUES OF LARGE MATRICES USING VARIANCEMINIMIZATION METHOD

Authors
BESALU E BOFILL JM
Citation
E. Besalu et Jm. Bofill, CALCULATION OF CLUSTERED EIGENVALUES OF LARGE MATRICES USING VARIANCEMINIMIZATION METHOD, Journal of computational chemistry, 19(15), 1998, pp. 1777-1785
Citations number
30
Categorie Soggetti
Chemistry
Journal title
Journal of computational chemistry → ACNP
ISSN journal
01928651
Volume
19
Issue
15
Year of publication
1998
Pages
1777 - 1785
Database
ISI
SICI code
0192-8651(1998)19:15<1777:COCEOL>2.0.ZU;2-H
Abstract
The autoadjusting perturbation theory method is presented and develope d to calculate eigenpairs of a square matrix. The procedures to simult aneously compute a cluster of eigenpairs by variance minimization are also given. Finally, numerical examples are reported. (C) 1998 John Wi ley & Sons, Inc.