Electron and Photon Interactions with Molecules

这个项目关注原子，分子和电子的碰撞，着眼于计算可能发生的不同过程的横截面和相对分支比。 这些过程主要包括解离。 这样的计算通常是复杂的，因为不仅要考虑束缚态的影响，还要考虑自由电子态的影响。 潜在的简并也使分析复杂化。 在这个研究项目中，该小组的目标是使用现代从头算技术，以探索这种原子/分子系统中的能量流动，并阐明其不同组成部分之间相互作用的机制。因此，这项工作将涉及解离复合，激发分子的高能光子碰撞，和多原子系统的光剥离的研究。 这也包括从辐射附着过程的扩展来预测空间固定分子的角分布，这项工作也被认为具有更广泛的影响。 这项研究将加强研究和教育的基础设施。 此外，该小组与国际合作伙伴保持着密切的合作，特别是瑞典的实验和理论小组，德国的TSR以及法国阿弗尔大学的理论家。

This project concerns the collisions of atoms, molecules, and electrons, with an eye towards calculating the cross sections and relative branching ratios of different processes that might occur. These processes primarily include dissociation. Such calculations are generally complicated because one must include the effects of not only bound states but also states with free electrons. Potential degeneracies also complicate the analysis. In this research project, the group aims to use modern ab initio techniques in order to explore the flow of energy in such atomic/molecular systems and to elucidate the mechanisms that underlie the interactions between their different components. As such, this work will involve studies of dissociative recombination, the excitation of molecules by high-energy photon impact, and photodetachment of polyatomic systems. This also includes predicting angular distributions from fixed-in-space molecules with extensions to the process of radiative attachment.This work is also envisioned to have significant broader impacts. This research will enhance infrastructure for research and education. Moreover, the group maintains a strong collaboration with international partners, in particular the experimental and theory groups in Sweden, the TSR in Germany, and with theoreticians at the Universite de Havre, France.