Abstract
We develop a method for calculation of dissociative electron attachment cross sections based on the Fano-Feshbach projection-operator approach. The coupling between the diabatic state and electron continuum is calculated with the inclusion of orthogonality scattering and long-range electron-molecule interaction. The dynamics of nuclear motion in the nonlocal complex potential is treated by semiclassical theory. We apply the theory to the calculation of dissociative attachment to the ${\mathrm{H}}_{2}$ and HF molecules. Our results for attachment to ground-state hydrogen molecules and the near-threshold vibrational enhancement of ${\mathrm{H}}_{2}$ are essentially the same as previous nonlocal results. However, the shape of the energy dependence of the cross section for attachment to vibrationally excited states of ${\mathrm{H}}_{2}$ is slightly different. The calculated value for the total attachment cross section to the ground state of HF is consistent with the little experimental data available; more definite conclusions are difficult because of the approximate nature of the experimental results. The results for the vibrational enhancement are in very good agreement with experiment.
Paper version not known (Free)
Published Version
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have