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Fission of metal clusters: A comparison of jellium model calculations and shell correction method calculations
Author(s) -
Koizumi Hiroyasu,
Fukumoto Yuji
Publication year - 1996
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/(sici)1097-461x(1996)60:7<1701::aid-qua53>3.0.co;2-#
Subject(s) - jellium , shell (structure) , fission , metal , chemistry , atomic physics , molecular physics , computational chemistry , materials science , physics , nuclear physics , organic chemistry , neutron , composite material
We investigate the fission process Ag 2+ 23 → Ag + 12 + Ag + 11 in order to compare total energies that calculated by the shell correction method and jellium models. A cavity potential and a Woods‐Saxon‐type potential are used as the shell potential for the shell correction method, with which the single‐particle energy levels are calculated. Shell corrections are obtained by using the Balian‐Bloch formula and by smoothing the discrete energy levels in the shell potentials. The jellium model calculations are performed in the framework of the local spin density functional approximation. The conventional jellium model and stabilized jellium model are used. Although the qualitative agreement between the shell correction method calculations and the stabilized jellium calculations is very good, an improvement of the liquid drop energy will be necessary for the satisfactory quantitative agreement. © 1996 John Wiley & Sons, Inc.