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Theoretical Study of the Rydberg Spectra of Chemically Relevant Isovalent Radicals

机译:化学相关的等价自由基的里德伯格光谱的理论研究

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摘要

In the present work we have studied the Rydberg spectroscopic behavior of the CH_3 and SiH_3 isovalent radicals. The molecular-adapted quantum defect orbital (MQDO) method has been employed in our calculations, which have been extended to the radicals' isolated central atoms, C and Si. The similarities observed between the intensities of analogous transitions in the atoms and the corresponding radicals have not only served the purpose of assessing the quality of our calculations but also offer some potential practical usefulness.
机译:在目前的工作中,我们研究了CH_3和SiH_3等价基团的Rydberg光谱行为。在我们的计算中,采用了分子自适应量子缺陷轨道(MQDO)方法,该方法已扩展到自由基的孤立中心原子C和Si。在原子和相应的基团之间的类似跃迁强度之间观察到的相似性不仅用于评估我们的计算质量,而且还提供了一些潜在的实用性。

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