| 用类B原子波函数对H7^2＋团簇的正八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B原子波函数对H7^2＋团簇的正八面体中心结构与能量的研究[J]. 原子与分子物理学报, 2006, 23(4): 734-736 |
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| 作者姓名： | 汪志刚 朱俊 程艳 |
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| 作者单位： | 乐山师范学院物理与电子信息科学系 乐山614004(汪志刚)，四川大学物理科学与技术学院 成都610065(朱俊，程艳) |
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| 摘 要： | 在单中心球模型近似下,选用类B原子解析波函数,用变分法计算了H27 团簇正八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=2.83a0时,体系能量有一极小值E=-3.918h0(a0=0.529177×10-10m,h0=27.2 eV).这表明H72 团簇的正八面体中心结构是稳定的结构,H27 团簇是可能存在的.
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| 关 键 词： | H27 团簇 单中心球模型近似 变分法 |
| 文章编号： | 1000-0364（2006）04-0734-03 |
| 收稿时间： | 2005-04-24 |
| 修稿时间： | 2005-04-24 |
The calculation of the energy of body-centered regular octahedral structure of H_7~(2+) cluster with the simple boron wave functions |
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| WANG Zhi-gang,ZHU Jun,CHENG Yan. The calculation of the energy of body-centered regular octahedral structure of H_7~(2+) cluster with the simple boron wave functions[J]. Journal of Atomic and Molecular Physics, 2006, 23(4): 734-736 |
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| Authors: | WANG Zhi-gang ZHU Jun CHENG Yan |
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| Affiliation: | WANG Zhi-gang~1,ZHU Jun~2,CHENG Yan~2 |
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| Abstract: | The simple boron wave functions are chosen as the electronic wave functions of the H~2 _7 cluster with one center spherical model approximation.The binding energy of the body-centered regular octahechral structure of the H~2 _7 cluster is calculated by means of variational method.The result of the calculation shows that the cure has a minimal energy-3.918h_0 at R=2.83a_0.This means that the body-centered regular octahechral structure of the H~2 _7 cluster may exist stably. |
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| Keywords: | H_2~( _7) cluster one center spherical model approximation variational method |
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