论文标题

一般时间依赖的配置互动单曲II:原子案例

General Time-Dependent Configuration-Interaction Singles II: The Atomic Case

论文作者

Carlström, Stefanos, Bertolino, Mattias, Dahlström, Jan Marcus, Patchkovskii, Serguei

论文摘要

我们对前面论文(ARXIV:2204.09966)中所述的时间依赖性配置相互作用单曲的基于网格的实现进行了专业化。我们详细描述了复杂的时间传播器,并以一些示例计算得出结论。其中,值得注意的是在霓虹灯光电离的附近的高分辨率光电子光谱,以及来自Xenon的自旋偏振光电子,与最近的实验一致。

We present a specialization of the grid-based implementation of the time-dependent configuration-interaction singles described in the preceding paper (arXiv:2204.09966) to the case of spherical symmetry. We describe the intricate time propagator in detail, and conclude with a few example calculations. Among these, of note are high-resolution photoelectron spectra in the vicinity of the Fano resonances in photoionization of neon, and spin-polarized photoelectrons from xenon, in agreement with recent experiments.

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