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Decay of charged stabilized jellium clusters
Author(s) -
Vieira Armando,
Brajczewska Marta,
Fiolhais Carlos
Publication year - 1995
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560560409
Subject(s) - jellium , fragmentation (computing) , atomic physics , valence electron , electron , dissociation (chemistry) , valence (chemistry) , chemistry , semi empirical mass formula , ion , molecular physics , physics , nuclear physics , organic chemistry , computer science , fission , neutron , operating system
The stabilized jellium model is a simple modification of the jellium model, 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 jellium model. Kohn‐Sham calculations of the parents and daughters, using the local density approximation, have been made. We evaluated the dissociation energies of Al N + , Al N 2+ , and Al N − , with N =1‐30 atoms, in all possible decay channels. We discuss the most favorable decay channels, which are ruled by the shell structure (magic numbers of valence electrons in the parents and the daughters) oscillations around an average trend given by a liquid drop model. We compare our calculations with others and with the available experimental data. © 1995 John Wiley & Sons, Inc.