Wigner-Witmer双原子本征函数
The Wigner-Witmer diatomic eigenfunction
摘要：
玻恩和奥本海默报道了分子本征函数近似分离为电子、振动和转动部分，但在他们的论文的最后表明，描述双原子分子中原子核转动的两个角度是完全可分离的。一年后，在一项严格致力于双原子分子的两部分工作中，维格纳和维特默发表了（1）精确的双原子本征函数和（2）将双原子分子的电子态与分离原子的轨道和自旋动量相关联的规则。维格纳-威特默论文的第二部分因其相关规则而闻名，但奇怪的是，从中获得规则的确切本征函数几乎没有受到任何关注。利用三个基本对称性，我们给出了Wigner-Witmer双原子本征函数的一个推导。我们的推导的应用是基本的预测准确的双原子分子光谱，我们比较记录的光谱诊断的目的，如测量的分子光谱产生激光诱导等离子体。
英文摘要：
Born and Oppenheimer reported an approximate separation of molecular eigenfunctions into electronic, vibrational, and rotational parts, but at the end of their paper showed that the two angles describing rotation of the nuclei in a diatomic molecule are exactly separable. A year later in a two-part work devoted strictly to diatomic molecules, Wigner and Witmer published (1) an exact diatomic eigenfunction and (2) the rules correlating the electronic state of a diatomic molecule to the orbital and spin momenta of the separated atoms. The second part of the Wigner-Witmer paper became famous for its correlation rules, but, oddly, the exact eigenfunction from which their rules were obtained received hardly any attention. Using three fundamental symmetries, we give a derivation of the Wigner-Witmer diatomic eigenfunction. Applications of our derivations are fundamental to predicting accurate diatomic molecular spectra that we compare with recorded spectra for diagnostic purposes, such as measurements of molecular spectra following generation of laser-induced plasma.
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