Purely theoretical electron-impact ionization cross-sections of silicon hydrides and silicon fluorides obtained from explicitly correlated methods Academic Article uri icon

abstract

  • 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.

citation count

  • 10

publication date

  • July 2000