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Multicenter distorted-wave calculation for triple differential cross sections of tetrahydropyran and 1,4-dioxane molecules
Journal of Electron Spectroscopy and Related Phenomena ( IF 1.8 ) Pub Date : 2021-03-09 , DOI: 10.1016/j.elspec.2021.147059
Zhenpeng Wang , Maomao Gong , Xingyu Li , Song Bin Zhang , Xiangjun Chen

We report a theoretical investigation of the (e, 2e) triple-differential cross sections of tetrahydropyran and 1,4-dioxane molecules using multicenter distorted-wave method. Previous experiments [J. Chem. Phys. 140, 214312 (2014).] with 250 eV impinging electron are available for comparison. The multicenter distorted-wave calculations well describe the measurements, especially in the binary region. It is shown that the multicenter short range potential plays an important role in the dynamics of single ionization process.



中文翻译:

四氢吡喃和1,4-二恶烷分子三重差截面的多中心畸变波计算

我们报告了使用多中心畸变波方法对四氢吡喃和1,4-二恶烷分子的(e,2 e)三重截面的理论研究。以前的实验[J. 化学 物理 140,214312(2014)。]具有250 eV的撞击电子可供比较。多中心失真波计算很好地描述了测量结果,尤其是在二进制区域。结果表明,多中心短程电势在单电离过程的动力学中起着重要作用。

更新日期:2021-03-31
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