| 用类O原子波函数对H+9团簇的体心立方结构与能量的研究 |
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| 引用本文： | 朱俊,曹乐千.用类O原子波函数对H+9团簇的体心立方结构与能量的研究[J].原子与分子物理学报,2001,18(2):238-240. |
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| 作者姓名： | 朱俊 曹乐千 |
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| 作者单位： | 四川大学应用物理系, |
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| 摘 要： | 在单中心球模型近似下，选用类O原子解析函数，用变分法计算了H+9团簇体心立方结构与能量。结果表明当中心氢原子核到顶角氢原子核之间的距离R=1.97a0时，体系能量有一极小值E=-4.376h0(a0=0.529177×10-10m,h0=27.2eV)。这表明H+9团簇的体心立方结构是稳定的结构，H+9团簇是存在的。
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| 关 键 词： | H+9团簇 单中心球模型近似 变分法 |
| 文章编号： | 1000-0364(2001)02-0238-03 |
| 修稿时间： | 1999年5月24日 |
The calculation of the energy curve of body-centered cubic structure of H+9 cluster with the simple oxygen wave functions |
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| ZHU Jun,CAO Le-qian.The calculation of the energy curve of body-centered cubic structure of H+9 cluster with the simple oxygen wave functions[J].Journal of Atomic and Molecular Physics,2001,18(2):238-240. |
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| Authors: | ZHU Jun CAO Le-qian |
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| Abstract: | The simple oxygen wave functions are chosen as the electronic wave function of the H+9 cluster with one center spherical model approximation. The energy curve of the body-centered cubic structure of the H+9 cluster is calculated by means of variational method. The result of the calculation shows that the curve has a minimal energy -4.376 h0 at R=1.97a0 (a0=0.529 177×10-10 m, h0=27.2 eV). This means that the body-centered cubic structure of the H+9 cluster is stable and the cluster of H+9 may exist. |
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| Keywords: | H 9 cluster One center spherical model approximation Variational method |
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