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Calculation of clustered eigenvalues of large matrices using variance minimization method
Author(s) -
Besalú Emili,
Bofill Josep Maria
Publication year - 1998
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/(sici)1096-987x(19981130)19:15<1777::aid-jcc9>3.0.co;2-k
Subject(s) - eigenvalues and eigenvectors , minification , mathematics , variance (accounting) , perturbation (astronomy) , matrix (chemical analysis) , mathematical optimization , physics , chemistry , accounting , chromatography , quantum mechanics , business
The autoadjusting perturbation theory method is presented and developed to calculate eigenpairs of a square matrix. The procedures to simultaneously compute a cluster of eigenpairs by variance minimization are also given. Finally, numerical examples are reported. © 1998 John Wiley & Sons, Inc. J Comput Chem 19: 1777–1785, 1998