| H2(X1∑g+)—H2(E1∑g+)系统的相互作用 |
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| 引用本文： | 吕燕南,黄祖洽.H2(X1∑g+)—H2(E1∑g+)系统的相互作用[J].物理学报,1989,38(9):1510-1514. |
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| 作者姓名： | 吕燕南 黄祖洽 |
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| 作者单位： | 北京师范大学低能核物理研究所 |
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| 摘 要： | 采用显含电子对相关坐标的波函数,在微扰论的框架下计算了El∑g+态氢分子与基态氢分子取cross构型时的中长程相互作用。结果表明,该相互作用在分子间距6.5α0附近存在着一个活化能势垒,在4.5α0附近显示出较强的化学键行为。
关键词：
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| 关 键 词： | 基态 氢分子 激发态 化学键 |
| 收稿时间： | 1988-12-07 |
ON THE INTERACTION OF H2 (X1∑g+)—H2(E1∑g+) SYSTEM |
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| Lü YAN-NAN,HUANG ZU-QIA.ON THE INTERACTION OF H2 (X1∑g+)—H2(E1∑g+) SYSTEM[J].Acta Physica Sinica,1989,38(9):1510-1514. |
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| Authors: | Lü YAN-NAN HUANG ZU-QIA |
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| Abstract: | A perturbative calculation for the long-range and intermediate interactions between excited state H2(E1∑g+) and ground state H2(X1∑g+) in the crossed geometry is performed by using a trial wavefunction depending on the interelectronic distance explicitly. According to the results, there is a potential energy barrier around the inter-molecular separation D = 6.5α0. Inside the barrier, there shows a strong chemical bond behavior. |
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