Progress in theoretical descriptions of dissociative recombination and other electron scattering processes in diatomic ions

The scattering process of an electron off of a molecular ion is a challenging yet important part of molecular chemistry. With newer, more accurate data from storage ring experiments along with ever more abundant computational resources, there arises a desire for more precise theoretical methods tackling this problem.

MQDT approaches such as the frame transformation method have been used to compute the dissociative recombination as well as rovibrational excitation processes for diatomic ions in multiple past studies. We describe and summarize our recent developments in the field progressing towards more accurate and less approximative descriptions. We study various cases of diatomics such as H₂⁺, HeH⁺ and CH⁺ and show good agreement of cross section data with the recent state-of-the-art storage ring experiments.