| H_7体系的正八面体中心结构及能量计算 |
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| 摘 要： | 用通道耦合计算方法对Ｈ７体系的正八面体中心结构的能量进行了计算，得到以中心距ｒ为变量的能量曲线。结果表明，在ｒ＝１．５２ａｏ．处有极小能量－３．９１１ａ．ｕ．．
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| 关 键 词： | 正八面体结构，通道耦合方法，稳定结构 |
The Energy Calculation for The Regular Octahedral Structure of H_7 |
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| Authors: | Guo Zhiquan |
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| Institution: | Institute of Ansthan Iron and Steel Technology |
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| Abstract: | The energy curve for the centered the regular octahedral structure of H7 is calculated by the ACQM method. The result shows that the Curve has a minimal energy-3. 911 a. u. at r= 1. 52 ao. This means that the regular octahedral structure of H7 is a more stable structure. |
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| Keywords: | the regular octahedral structure the ACQM metehod stable structure |
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