| 用类Li原子波函数对H52+团簇的正四面体中心结构与能量的研究 |
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| 引用本文： | 汪志刚,朱俊,程艳.用类Li原子波函数对H52+团簇的正四面体中心结构与能量的研究[J].原子与分子物理学报,2007,24(2):303-306. |
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| 作者姓名： | 汪志刚 朱俊 程艳 |
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| 作者单位： | 1. 四川大学物理科学与技术学院,成都,610064;乐山师范学院物理与电子信息科学系,乐山,014004
2. 四川大学物理科学与技术学院,成都,610064 |
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| 摘 要： | 在单中心球模型近似下,选用类Li原子解析波函数,用变分法计算了H52 团簇正四面体中心结构与能量.结果表明当中心氢原子核到顶角氢原子核之间的距离R=1.93a0时,体系能量有一极小值E=-4.3792 Hartree(a0=0.529177×10-10m,1 Hartree=27.2 eV).这表明H52 团簇的正四面体中心结构是稳定的结构,H52 团簇是可能存在的.
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| 关 键 词： | H52 团簇 单中心球模型近似 变分法 |
| 文章编号： | 1000-0364（2007）02-0303-04 |
| 收稿时间： | 2006/12/12 |
| 修稿时间： | 2006-12-12 |
The variational calculation of the energy for the tetragonal central structure of H52+ cluster with the simple lithium wave functions |
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| WANG Zhi-gang,ZHU Jun,CHENG Yan.The variational calculation of the energy for the tetragonal central structure of H52+ cluster with the simple lithium wave functions[J].Journal of Atomic and Molecular Physics,2007,24(2):303-306. |
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| Authors: | WANG Zhi-gang ZHU Jun CHENG Yan |
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| Institution: | 1. College of Physical Science and Technology, Sichuan University, Chengdu 610064,China; 2. Department of Physics, Leshan Teachers College,Leshan 014004,China |
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| Abstract: | The simple lithium wave functions are chosen as the electronic wave functions of the H52 cluster with one center spherical model approximation.The energy curve of the tetragonal central structure of the H52 cluster is calculated by means of variational method.The result of the calculation shows that the cure has a minimal energy-4.3792 Hartree at R=1.93 a0.This means that the tetragonal central structure of the H52 cluster may exist stably. |
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| Keywords: | H52 cluster one center spherical model approximation variational method |
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