Electron Impact Ionization Cross Sections and Rate Coefficients for the Pyrimidine Molecule

In the present work, the total ionisation cross sections (TICS) of pyrimidine have been calculated using the simplified Khare BEB method. The calculations were performed for incident electron energies spanning from ionization threshold to 10 MeV. Comparisons with available experimental data and other theoretical models demonstrate that the Khare BEB method yields accurate predictions while maintaining computational efficiency. The present findings not only validate the applicability of the simplified Khare BEB formalism to complex heteroaromatic systems but also contribute to the growing database of ionization cross sections essential for radiation biology, astrophysics, and plasma modeling. Using the evaluated ionization cross sections and Maxwell–Boltzmann electron energy distribution we have also calculated the ionization rate coefficients as a function of electron temperature/energy. PACS No: 34.80 Dp