ELECTRONIC SUPERSHELLS IN METAL-CLUSTERS

被引：10

作者：

GENZKEN, O ^{[1
]}

BRACK, M ^{[1
]}

CHABANAT, E ^{[1
]}

MEYER, J ^{[1
]}

机构：

[1] UNIV LYON 1,INST PHYS NUCL,F-69365 LYON 2,FRANCE

来源：

BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 1992年 / 96卷 / 09期

关键词：

CLUSTERS; JELLIUM MODEL; KOHN-SHAM-EQUATIONS; QUANTUM MECHANICS; SUPER SHELL-STRUCTURE;

D O I：

10.1002/bbpc.19920960928

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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 almost-equal-to 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 clectrons of aluminium clusters.

引用

页码：1217 / 1220

页数：4

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