NORMALIZATION OF THE FOX-GOODWIN ALGORITHM TO CALCULATE SCATTERING MATRICES IN AN ADIABATIC BASIS AT LOW AND HIGH COLLISION ENERGIES

Citation
Jp. Braga et Jc. Belchior, NORMALIZATION OF THE FOX-GOODWIN ALGORITHM TO CALCULATE SCATTERING MATRICES IN AN ADIABATIC BASIS AT LOW AND HIGH COLLISION ENERGIES, Journal of computational chemistry, 17(13), 1996, pp. 1559-1563
Citations number
16
Categorie Soggetti
Chemistry
ISSN journal
01928651
Volume
17
Issue
13
Year of publication
1996
Pages
1559 - 1563
Database
ISI
SICI code
0192-8651(1996)17:13<1559:NOTFAT>2.0.ZU;2-X
Abstract
Scattering matrices in an adiabatic basis were calculated for a model two-state atomic collision using a simple modification (normalization of the wave function) of the Fox-Goodwin three-point recurrence relati on. Unlike the previous application of this method to scattering the p resent algorithm was able to precisely calculate the scattering matrix not only at low collision energies (eV), but also at high energies (k eV). An analysis of the convergence of the modified Fox-Goodwin algori thm is also discussed for several angular momenta and for several ener gies where the results were compared to the renormalized Numerov metho d. (C) 1996 by John Wiley & Sons, Inc.