SMALL METAL-CLUSTERS IN A CYLINDRICALLY AVERAGED PSEUDOPOTENTIAL SCHEME

被引：50

作者：

MONTAG, B

REINHARD, PG

机构：

[1] Institut für Theoretische Physik, 91058 Erlangen

来源：

PHYSICS LETTERS A | 1994年 / 193卷 / 04期

关键词：

D O I：

10.1016/0375-9601(94)90969-5

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The cylindrically averaged pseudopotential scheme (CAPS) relies on a pseudopotential description for the ionic cores and the valence electrons in a metal. It treats the ions in three dimensions and the electrons restricted to axial symmetry. The ionic positions are optimized by simulated annealing in a Monte Carlo approach. We present results for small Na clusters and compare them with other models.

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页码：380 / 386

页数：7

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