The effect of taking proper account of zero-point vibration in adiabatic-nuclei calculations of cross sections for low-energy (1-10 eV) e-H2 scattering is investigated. Explicit integration over internuclear separation leads to significant changes in integral cross sections over fixed-R results, where the molecule is frozen at its equilibrium separation. Increases ranging up to 5% for elastic scattering and 40% for rotational excitation are observed, with the largest changes occurring at the lower end of the energy range. Angular distributions are also affected. Adiabatic-nuclei cross sections are in good agreement with experiment over the whole energy range.
|Journal||Journal of Physics B: Atomic and Molecular Physics|
|State||Published - 1979|