Electron scattering cross section calculations for polar molecules over a broad energy range

We report computational integral and differential cross sections for electron scattering by two different polar molecules, HCN and pyrimidine, over a broad energy range. We employ, for low energies, either the single-centre expansion (ePOLYSCAT) or the R-matrix method, while for the higher energies we select a corrected form of the independent-atom representation (IAM-SCAR). We provide complete sets of integral electron scattering cross sections from low energies up to 10,000 eV. Our present calculated data agree well with prior experimental results.

► Integral and differential cross sections have been calculated for HCN and pyrimidine. ► ePOLYSCAT and R-matrix were joined together with IAM-SCAR at intermediate energies. ► Complete sets of integral cross sections are provided over a broad energy range. ► The Dickinson correction is confirmed to improve the large angles differential cross sections for strong polar molecules.