| H_5~+的几何构型及电子激发态研究 |
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| 引用本文： | 孙泽民,黄朝万,鄢国森. H_5~+的几何构型及电子激发态研究[J]. 化学研究与应用, 1991, 0(4) |
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| 作者姓名： | 孙泽民 黄朝万 鄢国森 |
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| 作者单位： | 四川大学化学系，四川大学化学系，四川大学化学系 成都 610064，成都 610064，成都 610064 |
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| 摘 要： | 本文使用组态相互作用(CI)与多组态自洽场(MCSCF)相结合的方法,对H_5~+进行了研究。得到H_5~+为H_3~+·H_2复合体的新构型,属C_2点群。且给出了H_5~+的电子激发态能量。
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| 关 键 词： | 组态相互作用 多组态自洽场H_s~+ 构型 |
RESEARCH ON THE CONFIGURATION AND ELECTRONIC EXCITED STATES OF H_5~+ |
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| Sun Zemin,Huang Chaowan,Yan Guosen. RESEARCH ON THE CONFIGURATION AND ELECTRONIC EXCITED STATES OF H_5~+[J]. Chemical Research and Application, 1991, 0(4) |
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| Authors: | Sun Zemin Huang Chaowan Yan Guosen |
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| Affiliation: | Sun Zemin,Huang Chaowan,Yan Guosen Department of Chem. Sichuan University,Chengdu 610064 |
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| Abstract: | The configuration and electronic excited states for H_5~+ are studied by using the conbination method of CI-MCSCF. A new result in the geometric of H_5~+ is given. The electronic energy of the excited states is calculated. Furthermore, it is possible to predict the electronic spectrum of H_5~+. |
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| Keywords: | CI MCSCF H_3~+ configuration |
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