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The Photoionization Time in π-Conjugated Molecular Systems.
The Journal of Physical Chemistry A ( IF 2.9 ) Pub Date : 2020-06-17 , DOI: 10.1021/acs.jpca.0c05369
Deep Mukherjee 1 , Shaul Mukamel 2 , Upendra Harbola 1
Affiliation  

The photoionization time of C2H4 is calculated as a model for π-conjugated molecular systems. Analytical results are obtained using the Wigner phase delay, which is compared with energy-streaking measurements. We find that, although the ionization time averaged over nuclear configurations compares well in the two measures, the dependence on the nuclear configuration is different. Interference between different ionization pathways depends significantly on the molecular geometry and the ionizing electron energy and may lead to qualitative changes in the ionization time.

中文翻译:

π共轭分子系统中的光电离时间。

计算C 2 H 4的光电离时间作为π-共轭分子系统的模型。使用维格纳相位延迟获得分析结果,并将其与能量条纹测量结果进行比较。我们发现,尽管在两种方法中,平均核构型的电离时间比较好,但对核构型的依赖性却不同。不同电离途径之间的干扰在很大程度上取决于分子的几何形状和电离电子能量,并可能导致电离时间的质变。
更新日期:2020-07-16
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