DECAY OF CHARGED STABILIZED JELLIUM CLUSTERS

Citation
A. Vieira et al., DECAY OF CHARGED STABILIZED JELLIUM CLUSTERS, International journal of quantum chemistry, 56(4), 1995, pp. 239-246
Citations number
25
Categorie Soggetti
Chemistry Physical
ISSN journal
00207608
Volume
56
Issue
4
Year of publication
1995
Pages
239 - 246
Database
ISI
SICI code
0020-7608(1995)56:4<239:DOCSJC>2.0.ZU;2-S
Abstract
The stabilized jellium model is a simple modification of the jellium m odel, which more realistically describes simple metals of high density , such as Al, Ga, Pb, etc. We analyzed the fragmentation processes of charged spherical Al clusters in the framework of the stabilized jelli um model. Kohn-Sham calculations of the parents and daughters, using t he local density approximation, have been made. We evaluated the disso ciation energies Al-N(+), Al-N(2+) and Al-N(-) with N = 1-30 atoms, in all possible decay channels. We discuss the most favorable decay chan nels, which are ruled by the shell structure (magic numbers of valence electrons in the parents and the daughters) oscillations around an av erage trend given by a liquid drop model. We compare our calculations with others and with the available experimental data. (C) 1995 John Wi ley & Sons, Inc.