We
describe the recent progress in the development of the semiempirical
approach developed by Jain and Khare for the calculations of ionization
cross sections for molecules by electron impact. Along with the state-of-the-art
description of this approach, the emphasis will be on the evaluation
of cross sections for a carbon dimer, C2, and trimer, C3. Single-differential ionization cross sections as a function
of secondary or ejected electron energy and averaged secondary electron
energy for C2 and C3 are calculated at fixed
impinging electron energies of 100 and 200 eV. The integral ionization
cross sections are also derived from ionization threshold to 2000
eV. Extensive comparisons of the presently evaluated direct ionization
cross sections with the only available theoretical binary-encounter-dipole
model calculations of Kim and Rudd, spherical-complex-optical-potential
model calculations of Nagama and Antony, DM model calculations of
Deutsch and Märk, and the calculations of Michelin et al. based
on the combination of the Schwinger variational iterative method and
distorted wave approximation revealed a satisfactory agreement. The
present study also establishes the validity of the semiempirical approaches
and so provides a solid foundation for further applications to the
larger molecules.
Energy-dependent
partial differential ionization cross sections
at constant incident electron energies and their integral cross sections
for n-butane (n-C4H10) by electron impact corresponding to the formation of various
major cations are calculated using a revisited Jain–Khare semiempirical
formulation. Averaged energies of the secondary electrons are also
derived from the differential cross sections. The ionization rate
coefficients as a function of the temperature are evaluated from integral
partial ionization cross sections and Maxwell–Boltzmann energy
distributions. Calculations of cross sections include the Bethe analytical
extrapolation at higher energies up to 6 keV. A satisfactory agreement
of the calculated partial and total ionization cross sections with
the available experimental and theoretical results is noted.
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