Ground-state properties of a confined simple atom by C60 fullerene

被引：19
|
作者：
Neek-Amal, M.
Tayebirad, G.
Asgari, R.
机构：
[1] Inst Studies Theoret Phys & Math, Dept Nanosci, Tehran, Iran
[2] Iran Univ Sci & Technol, Dept Phys, Tehran, Iran
[3] Inst Studies Theoret Phys & Math, Tehran 193955531, Iran
来源：
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS | 2007年 / 40卷 / 08期
关键词：
D O I：
10.1088/0953-4075/40/8/005
中图分类号：
O43 [光学];
学科分类号：
070207 ; 0803 ;
摘要：
We numerically study the ground- state properties of an endohedrally confined hydrogen ( H) or helium ( He) atom by a molecule of C-60. Our study is based on the diffusion Monte Carlo method. We calculate the effects of a centred and small off- centred H- or He- atom on the ground- state properties of the systems and describe the variation of ground- state energies due to the C-60 parameters and the confined atomic nuclei positions. Finally, we calculate the electron distributions in the x - z plane for a wide range of C-60 parameters.
引用
收藏
页码：1509 / 1521
页数：13
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