Convergent close-coupling calculations of electron scattering on LiH

Integrated and differential cross sections for electron scattering on lithium hydride (LiH) are calculated using the molecular convergent close-coupling (MCCC) method. Fixed-nuclei cross sections for elastic scattering, excitation, and ionization are presented at the mean internuclear-separation.

LiH is a small diatomic molecule with a large permanent dipole moment which gives rise to strong rovibrational transitions. It is an instrument for astronomers investigating the cosmic dawn due to its significant contribution to the cooling process of primordial gases in the early universe and star formation, and is relevant in fusion power research due to the potential integration of lithium into the plasma-facing components of fusion reactors (e.g. ITER).

The LiH molecule is modeled as a quasi two-electron system, with the core electrons centered on the Li nucleus and accounted for using model polarization and exchange potentials. We demonstrate convergence with respect to the number of target states included in the close-coupling expansion, and in the partial-wave expansion of the projectile. Comparisons are made with previous calculations, where available.