Photofragmentation of the H3 molecule, including Jahn-Teller coupling effects
Photofragmentation of the H3 molecule, including Jahn-Teller coupling effects
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H3 分子的光断裂，包括 Jahn-Teller 耦合效应
DOI：
10.1103/physreva.69.032711
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发表时间：
2004
影响因子：
2.9
通讯作者：
C. Greene
中科院分区：
文献类型：
--
作者：
V. Kokoouline;C. Greene
我们已经发展了一个理论方法解释的光电离实验与H{sub 3}分子。在本研究中，我们给出了一个详细的描述的方法，它结合了多通道量子亏损理论，绝热超球的方法，和即将离任的Siegert赝态的技术。本方法考虑了分子的振动和旋转激发，处理了分子几何形状所施加的所有对称性限制，包括振动，旋转，电子和核自旋对称性。该方法最近被应用于治疗解离重组的H{sub 3}{sup +}离子。由于H{sub 3}{sup +}解离复合一直是一个有争议的问题，本研究还允许我们测试的方法的过程中的光电离，这是理解比解离复合。与两个光电离实验的良好协议。
We have developed a theoretical method for interpretation of photoionization experiments with the H{sub 3} molecule. In the present study we give a detailed description of the method, which combines multichannel quantum defect theory, the adiabatic hyperspherical approach, and the techniques of outgoing Siegert pseudostates. The present method accounts for vibrational and rotation excitations of the molecule, deals with all symmetry restrictions imposed by the geometry of the molecule, including vibrational, rotational, electronic, and nuclear spin symmetries. The method was recently applied to treat dissociative recombination of the H{sub 3}{sup +} ion. Since H{sub 3}{sup +} dissociative recombination has been a controversial problem, the present study also allows us to test the method on the process of photoionization, which is understood better than dissociative recombination. Good agreement with two photoionization experiments is obtained.