Computational studies of inelastic electron-molecule scattering processes with the Quantemol-N system

Data for cross-sections of electron-molecule scattering processes is an important ingredient in the study of plasmas, especially in undertaking reactor scale computer simulations of industrial plasmas. Such cross-section data can be obtained computationally from first principles, where a highly successful and accurate approach is the \textbf{R}-matrix method. In the \textbf{R}-matrix method, to approach the quantum-mechanical problem of the electron molecule interaction, space is divided into two regions: the \textit{inner} region, in which the (complicated) $N+1$ electron problem of the interaction between the scattering electron and the $N$ electron molecule is solved in detail; and the \textit{outer} region, where a much simpler scattering problem is solved. We report on recent developments in the \textit{Quantemol-N} package -- which provides an expert system interface to the state-of-the-art UK Molecular R- matrix codes -- for taking account of \textit{inelastic} electron- molecule scattering processes. The electron-impact processes we will focus on are: (1).~dissociative attachment; (2).~impact ionization; and (3).~electron impact excitation/dissociation. Example calculations will be presented. We will also illustrate how data obtained from calculations of such inelatic scattering processes has been incorporated into reactor-scale plasma simulations at Quantemol Ltd.