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

Phys Rev Lett. 2016 Jun 10;116(23):233201. doi: 10.1103/PhysRevLett.116.233201. Epub 2016 Jun 8.

Abstract

The convergent close-coupling method has been used to solve the electron-hydrogen molecule scattering problem in the fixed-nuclei approximation. Excellent agreement with experiment is found for the grand total, elastic, electronic-excitation, and total ionization cross sections from the very low to the very high energies. This shows that for the electronic degrees of freedom the method provides a complete treatment of electron scattering on molecules as it does for atoms.