Purely theoretical electron-impact ionization cross-sections of silicon hydrides and silicon fluorides obtained from explicitly correlated methods
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The electron impact ionization cross-sections calculated using a combination of the binary-encounter-dipole (BED) model and ionization potential (IP) data from the multiconfigurational spin tensor electron propagator (MCSTEP) method and kinetic energies from the natural orbitals of the (correlated) complete space self-consistent field (CASSCF) wave function were analyzed. Results indicate that improvement of the theoretical data upon which BEB cross-sections are based has minimal effect.
author list (cited authors)
Malcolm, N., & Yeager, D. L.