| 用类N原子波函数对H_9~(2+)团簇的体心立方结构与能量的研究 |
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| 引用本文： | 汪志刚,朱俊,陈刚.用类N原子波函数对H_9~(2+)团簇的体心立方结构与能量的研究[J].四川大学学报(自然科学版),2006,43(4):852-854. |
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| 作者姓名： | 汪志刚 朱俊 陈刚 |
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| 作者单位： | 乐山师范学院物理与电子信息科学系,四川大学物理科学与技术学院,四川大学物理科学与技术学院 |
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| 摘 要： | 在单中心球模型近似下,作者选用类N原子解析波函数,用变分法计算了H29+团簇的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=2.30a0时,体系能量有一极小值E=-3.527h0(a0=0.529177×10-10m,h0=27.2eV).这表明H92+团簇的体心立方结构是稳定的结构,H2+团簇是可能存在的.
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| 关 键 词： | H29+团簇 单中心球模型近似 变分法 |
| 文章编号： | 0490-6756（2006）04-0852-03 |
| 收稿时间： | 5/9/2006 12:00:00 AM |
| 修稿时间： | 2006-05-092006-05-26 |
The Calculation of the Energy of Body-centered Cubic Structure of H_9~(2+) Cluster with the Si mple Normal Wave Functions |
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| WANG Zhi-gang,ZHUJun and CHENGang.The Calculation of the Energy of Body-centered Cubic Structure of H_9~(2+) Cluster with the Si mple Normal Wave Functions[J].Journal of Sichuan University (Natural Science Edition),2006,43(4):852-854. |
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| Authors: | WANG Zhi-gang ZHUJun and CHENGang |
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| Institution: | Department of Physics; Leshan Teachers College,College of Physical Science and Technology; Sichuan University,College of Physical Science and Technology; Sichuan University |
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| Abstract: | The si mple normal wave functions are chosen as the electronic wave functions of the H92 +clusterwith one center spherical model approxi mation.The energy curve of the body-centered cubic structure of theH92 +cluster is calculated by means of variational method.The result of the calculationshows that the cure hasa mini mal energyE=3.527h0atR=2.30a0(h0=27.2eV,a0=0.529177×10-10m).This meansthat thebodycentered cubic structure of the H92 +cluster may exist stably. |
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| Keywords: | H92 +cluster one center spherical model approxi mation variational method |
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