Is the trend of the polarizability per atom for all small 3d transition metal clusters the same?: The case of Nin (n≤5) clusters

被引:28
|
作者
Calaminici, Patrizia [1 ]
机构
[1] CINVESTAV, Dept Quim, Mexico City 07000, DF, Mexico
来源
JOURNAL OF CHEMICAL PHYSICS | 2008年 / 128卷 / 16期
关键词
D O I
10.1063/1.2909201
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
The first theoretical study on static polarizability and polarizability anisotropy of small nickel clusters up to the pentamer is presented. All-electron-type calculations were performed using a finite field approach as implemented in the density functional program deMon2K. A newly developed first-order field-induced basis set for density functional calculations was employed. For the static polarizability per atom of these clusters, a different trend to the one reported in the literature for other transition metal cluster systems of similar size, is observed. (c) 2008 American Institute of Physics.
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页数:4
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