Spectral difference methods for solving differential equations

Authors
Citation
Da. Mazziotti, Spectral difference methods for solving differential equations, CHEM P LETT, 299(5), 1999, pp. 473-480
Citations number
21
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS LETTERS
ISSN journal
00092614 → ACNP
Volume
299
Issue
5
Year of publication
1999
Pages
473 - 480
Database
ISI
SICI code
0009-2614(19990116)299:5<473:SDMFSD>2.0.ZU;2-S
Abstract
A family of recently developed techniques is explored for achieving both ma trix sparsity and rapid convergence when numerically solving differential a nd eigenvalue equations without domain decomposition. These methods, which we call spectral differences, include Boyd's sum acceleration techniques an d the Lagrange distributed approximating functional (LDAF) approach. A form ula is developed for estimating the unknown Gaussian parameter within LDAF. We implement these methods to calculate the Morse vibrational energies for diatomic iodine. For equivalent bandwidths the sum acceleration with finit e difference weights generates energies which are between two and three ord ers of magnitude more accurate than those from LDAF. (C) 1999 Elsevier Scie nce B.V. All rights reserved.