Investigation of parameter-free model polarization potentials for electron-molecule scattering calculations including the nuclear motion.

Abstract

A correlation-polarization potential originally introduced by O'Connell and Lane [Phys. Rev. A 27, 1893 (1983)] is used in e-${\mathrm{H}}_{2}$ scattering calculations in which the vibrational motion of the target is taken into account. Eigenphase sums (as a function of internuclear separation) and cross sections for elastic scattering and for rovibrational excitations are compared to their counterparts calculated using the ab initio nonadiabatic model polarization potential of Gibson and Morrison [Phys. Rev. A 29, 2497 (1984)]. At low energies, these scattering quantities are found to be quite sensitive to the treatment of polarization. To assess these model potentials, theoretical total, momentum transfer, and rotational- and vibrational-excitation cross sections are compared to experimental data.