BEB-based models for ionisation cross sections of electron and positron impact with diatomic molecules

Abstract The ionising interactions of high-energy particles with molecules have applications in many areas. Despite this, some areas, including positron scattering, lack experimental data due to difficulties in performing experiments. Here, quick and simple methods for computing direct electron and positron impact ionisation cross sections are presented. These calculations, performed using the open-source software RAPID-CS, can provide a complete data set as a first approximation for when experimental, or more detailed computational work is not available. The cross-sectional data set includes the total, partial/fragment-specific, single-differential, average secondary electron energy and stopping power cross sections. The molecules N$$_2$$ 2 , O$$_2$$ 2 and CO were chosen to study due to the availability of positron scattering data. An overall good agreement with experimental and other computational results is presented. Graphical abstract Direct electron (left) and positron right) impact partial ionisation cross sections for N2. Total cross section: red, $$N^{+}_{2}$$ N 2 + partial cross section: blue, N$$^{+}$$ + partial cross section: green.electron: solid lines: BEB, experimental measurements by Lindsay and Mangan [36]:Ürosses, Straub et al. [37]: stars, Opel et al. [39]: squares. Positron: solid lines: BEB0, Dashed lines: BEBA, Marler and Surko [23]: red crosses, Bluhme et al. [24]: stars