A Theoretical and Computational Approach to a Semi-classical Model for Electron Spectroscopy Calculations in Collisional Autoionization Processes

摘要

The analysis of energy spectra of emitted electrons is of great relevance to understand the main characteristics of the potential energy surfaces and of the stereodynamics of the collisional autoionization processes. In this work we analyze the electron kinetic energy spectra obtained in our laboratory in high resolution crossed beam experiments. For such an analysis, a novel semi-classical method is proposed, that assumes ionization events as mostly occurring in the vicinities of the collision turning points. The potential energy driving the system in the relevant configurations of the entrance and exit channels, used in the spectrum simulation, has been formulated by the use of a semi-empirical method. The analysis puts clearly in evidence how different approaches of the metastable atom to the target molecule lead to ions in different electronic states.