Electron-impact ionization of diatomic molecules using a configuration-average distorted-wave method

نویسندگان

  • M. S. Pindzola
  • F. Robicheaux
  • J. Colgan
  • C. P. Ballance
چکیده

Electron-impact ionization cross sections for diatomic molecules are calculated in a configuration-average distorted-wave method. Core bound orbitals for the molecular ion are calculated using a single-configuration self-consistent-field method based on a linear combination of Slater-type orbitals. The core bound orbitals are then transformed onto a two-dimensional r , numerical lattice from which a Hartree potential with local exchange is constructed. The single-particle Schrödinger equation is then solved for the valence bound orbital and continuum distorted-wave orbitals with S-matrix boundary conditions. Total cross section results for H2 and N2 are compared with those from semiempirical calculations and experimental measurements.

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تاریخ انتشار 2007