Theoretical study of electron–CS2 scattering: Elastic and electronic excitation processes

Abstract

In this work, we present a theoretical study of electron scattering from the CS2 molecule. We report elastic cross sections and electronically inelastic cross sections for transitions from the ground state to the 13B3u, 23B3u, 13Au, 11Au, 21Au, and 11B3u excited states, obtained using the Schwinger multichannel method within the minimal orbital basis for single-configuration interactions strategy. A total number of energetically accessible channels ranging from 1 to 343 were included in the calculations, allowing for a systematic assessment of the effects of multichannel coupling on the cross sections. Our results for elastic scattering are compared with theoretical and experimental data available in the literature, showing reasonable agreement at low energies and excellent agreement at higher energies. We also identify the presence of a Ramsauer–Townsend minimum and a virtual state, in agreement with previous predictions. To date, no results have been reported in the literature for the transition cross sections associated with the electronically excited states investigated here. We, therefore, expect that the data presented in this work will encourage further theoretical and experimental studies of inelastic processes in electron scattering from CS2.