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arXiv physics/9906026physics.atm-cluscond-mat
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对“小锂团簇结构和能量性质的密度泛函理论研究”的评论[J. Chem. Phys. 105,9933(1996)]

Comment on "Density functional theory study of some structural and energetic properties of small lithium clusters" [J. Chem. Phys. 105, 9933 (1996)]

Constantine Yannouleas, Uzi Landman

摘要:

本文用壳修正方法计算了Li_N小团簇的电离势。它们被用来说明,在jelterm近似,变形的集群形状提供了一个足够的描述所观察到的系统的大小依赖简单的金属簇的属性。Gardet等人的分析忽略了这种变形效应。

英文摘要:

The Ionization Potentials of small Li_N clusters are calculated with a Shell Correction Method. They are used to illustrate that, within the jellium approximation, deformed cluster shapes provide an adequate description of the observed systematic size dependence of the properties of simple metal clusters. Such deformation effects were overlooked in the analysis of Gardet et al.

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