ON THE RESTRICTED STEP METHOD COUPLED WITH THE AUGMENTED HESSIAN FOR THE SEARCH OF STATIONARY-POINTS OF ANY CONTINUOUS FUNCTION

Citation
Jm. Anglada et Jm. Bofill, ON THE RESTRICTED STEP METHOD COUPLED WITH THE AUGMENTED HESSIAN FOR THE SEARCH OF STATIONARY-POINTS OF ANY CONTINUOUS FUNCTION, International journal of quantum chemistry, 62(2), 1997, pp. 153-165
Citations number
40
Categorie Soggetti
Chemistry Physical
ISSN journal
00207608
Volume
62
Issue
2
Year of publication
1997
Pages
153 - 165
Database
ISI
SICI code
0020-7608(1997)62:2<153:OTRSMC>2.0.ZU;2-J
Abstract
In any optimization using the augmented Hessian technique, the step is not restricted to any length. Since the restriction of the step at ea ch iteration is very important in order to achieve good convergence, w e present a coupled method such that the augmented Hessian automatical ly gives both the adequate length of the step and the correct Hessian structure. The method is showed for the minima and saddle points of an y order. (C) 1997 John Wiley & Sons, Inc.