Electronic Supershells in Metal Clusters

Autor: O. Genzken, Jacques Meyer, Matthias Brack, E. Chabanat
Rok vydání: 1992
Předmět:
Zdroj: Berichte der Bunsengesellschaft für physikalische Chemie. 96:1217-1220
ISSN: 0005-9021
DOI: 10.1002/bbpc.19920960928
Popis: We present selfconsistent calculations of the supershell structure of sodium, lithium, indium and aluminium clusters, by using the spherical jellium model in LDA and solving the Kohn-Sham equations for up to N ≈ 3000 electrons. While the agreement with the experimental results is very good for alkali metal clusters (Na and Li), it is rather poor in the case of aluminium. We also present quantum-mechanical calculations for a recently suggested phenomenological Woods-Saxon potential for the valence electrons of aluminium clusters.
Databáze: OpenAIRE