Near threshold rotational excitation of molecular ions by electron-impact

Abstract

New cross sections for the rotational excitation of H$_3^+$ by electrons are calculated {\it ab initio} at low impact energies. The validity of the adiabatic-nuclei-rotation (ANR) approximation, combined with $R$-matrix wavefunctions, is assessed by comparison with rovibrational quantum defect theory calculations based on the treatment of Kokoouline and Greene ({\it Phys. Rev. A} {\bf 68} 012703 2003). Pure ANR excitation cross sections are shown to be accurate down to threshold, except in the presence of large oscillating Rydberg resonances. These resonances occur for transitions with $ΔJ=1$ and are caused by closed channel effects. A simple analytic formula is derived for averaging the rotational probabilities over such resonances in a 3-channel problem. In accord with the Wigner law for an attractive Coulomb field, rotational excitation cross sections are shown to be large and finite at threshold, with a significant but moderate contribution from closed channels.