| The MACQM Calculation for the BInding Energy of the Equilateral Triangle Structure of H3^— Cluster |
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| 引用本文： | LIping MIAOJing－Wei 等.The MACQM Calculation for the BInding Energy of the Equilateral Triangle Structure of H3^— Cluster[J].理论物理通讯,2001,35(3):327-329. |
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| 作者姓名： | LIping MIAOJing－Wei |
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| 作者单位： | [1]InstituteofAtomicandMolecularPhysics,SichuanUniversity,Chengdu610065,China [2]InstituteofNuclearScienceandTechnology,SichuanUniversity,Chengdu610064,China |
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| 摘 要： | Considering that the equilateral triangle structure of H3^- cluster can be formed from the interaction of H^- with two hydrogen atoms,a modified arrangement channel quantum mechanics method has been used to calculate the total energy curve for this structure,The result shows that the cureve has a minimal energy-1.6672 a.u.at an internuclear distance of 1.77a0,so its dissociation energy(binding energy)is D(H^- H H)=0.1395,a.u.This means that the cluster H3^- may be formed in an equilateral triangle structure with a bond length of 1.77α0.
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| 关 键 词： | 氢原子 H3^－团簇 结构束缚能级 |
| 收稿时间： | 2000-03-21 |
The MACQM Calculation for the Binding Energy of the Equilateral Triangle Structure of H3- Cluster |
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| LI Ping,GOU Qing-Quan,ZHANG Jian-Ping and MIAO Jing-Wei.The MACQM Calculation for the Binding Energy of the Equilateral Triangle Structure of H3- Cluster[J].Communications in Theoretical Physics,2001,35(3):327-329. |
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| Authors: | LI Ping GOU Qing-Quan ZHANG Jian-Ping and MIAO Jing-Wei |
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| Institution: | 1. Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China
;2. Institute of Nuclear Science and Technology, Sichuan University, Chengdu 610064, China |
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| Abstract: | Considering that the equilateral triangle structure of H3-
cluster can be formed from the interaction of H- with two hydrogen
atoms, a modified arrangement channel quantum mechanics method has been used to calculate the total energy curve for this structure. The result shows that the curve has a minimal energy
-1.6672 a.u. at an internuclear distance of 1.77a0, so its
dissociation energy (binding energy) is
D(H-+H+H)=0.1395 a.u. This means that
the cluster H3-
may be formed in an equilateral triangle structure with
a bond length of 1.77 a0. |
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| Keywords: | H3- cluster binding energy |
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