Complete Solution of Electronic Excitation and Ionization in Electron-Hydrogen Molecule Scattering.

Abstract

Using the convergent close-coupling (CCC) method within the fixed-nuclei approximation, researchers obtained a comprehensive quantum mechanical solution for electron scattering off hydrogen molecules. Calculated cross sections—covering grand total, elastic, electronic-excitation, and total ionization channels—showed strong agreement with experimental measurements across a broad energy range. These results demonstrate that the CCC approach, previously established for atomic targets, extends successfully to molecular systems, providing a complete description of the electronic degrees of freedom in such scattering problems.