Ab initio study of ArnI- (n=1-6) clusters

被引：0
|
作者：
Li Xinying [1 ]
Cao Xue [1 ]
Jiang Junhua [1 ]
Zhao Yongfang [2 ]
机构：
[1] Henan Med Univ, Sch Phys & Elect, Kaifeng 475004, Peoples R China
[2] Harbin Inst Technol, Ctr Condensed Matter Sci & Technol, Harbin 150001, Peoples R China
来源：
PHYSICA SCRIPTA | 2008年 / 78卷 / 06期
关键词：
D O I：
10.1088/0031-8949/78/06/065304
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
The structures, stabilities and electron affinities (EAs) of ArnI- (n = 1-6) clusters are investigated at the CCSD(T) theoretical level. In the global minimum energy structures, all the Ar atoms contact the central iodine anion directly. The electron correlation effects make the clusters more compact and stable. The calculated EAs are in agreement with the experimental results.
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页数：4
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