Electronic and nuclear dynamics of doubly core-ionized and excited states: Vibrationally resolved photoelectron and Auger spectra of small molecules

29th International Conference on Photonic, Electronic, and Atomic Collisions

Oberli, S.^1 ; Sisourat, N.^1 ; Selles, P.^1 ; Carniato, S.^1

Université Pierre et Marie Curie, Paris Cedex 05, France^1

关键词: Ab initio potential energy surface;    Auger spectrum;    Isolated molecules;    Nuclear dynamics;    Small molecules;    Vibrationally resolved;    Wave packet propagation;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/635/9/092043/pdf
DOI  :  10.1088/1742-6596/635/9/092043

来源: IOP

【 摘 要 】

In this work we want to assess the influence of nuclear dynamics on the features of the double corehole photoelectron and Auger spectra of small isolated molecules by performing wave packet propagation on precomputed ab initio potential energy surfaces.