STABLE AND EFFICIENT ALGORITHM FOR SELECTED EIGENVALUES AND EIGENVECTORS OF THE GENERAL SYMMETRICAL EIGENPROBLEM

Authors
LUCHOW A KLEINDIENST H
Citation
A. Luchow et H. Kleindienst, STABLE AND EFFICIENT ALGORITHM FOR SELECTED EIGENVALUES AND EIGENVECTORS OF THE GENERAL SYMMETRICAL EIGENPROBLEM, Computers & chemistry, 17(1), 1993, pp. 61-66
Citations number
17
Journal title
Computers & chemistry → ACNP
ISSN journal
00978485
Volume
17
Issue
1
Year of publication
1993
Pages
61 - 66
Database
ISI
SICI code
0097-8485(1993)17:1<61:SAEAFS>2.0.ZU;2-W
Abstract
A stable and efficient algorithm for the general symmetric matrix eige nproblem is given which allows the calculation of selected eigenvalues and eigenvectors in large Hylleraas-CIs. The method is based on a new version of the inverse iteration. The algorithm was successfully appl ied to a Hylleraas-CI for the Li-atom with dimensions of the basis up to 1589.