Electron Scattering from Sevoflurane

Various electron impact scattering cross sections of Sevoflurane are reported up to 5 keV. The elastic cross sections (differential and integral) are computed using the single-centre-expansion formalism within a molecular framework. The ground state target wavefunction is determined at the Hartree–Fock (HF) level. Post-HF corrections are incorporated to make a scattering realistic model. The total interacting potential is defined as the sum of static, correlation–polarization and exchange potentials. These potentials are numerically computed using their local forms. The long-range effects affecting the scattering due to the polar nature of the molecule are incorporated using the Born Top-up approach. The ionization cross sections are obtained from the semi-empirical binary-encounter-Bethe model. The total cross sections are estimated from the incoherent sum of Born-corrected elastic integral and ionization cross sections. The computed results show fairly good agreement with the experimental reported cross sections.