Differential cross sections for electronic excitation of molecular hydrogen using the R-matrix method

Abstract

Differential cross sections are calculated for electron-H2 collisions for scattering energies up to 20 eV. Elastic scattering and excitation from the ground, X 1 Sigma g+, to the lowest six excited electronic states, b3 Sigma u+, a3 Sigma g+, c3 Pi u, B1 Sigma u+, E, F 1 Sigma g+ and C 1 Pi u, is explicitly considered for all total symmetries up to and including 2 Phi g for a single fixed H2 geometry. The target states are represented using a full configuration interaction treatment within a basis of Slater-type orbitals optimized to give accurate vertical excitation energies. Results are presented for both resonant and non-resonant differential cross sections. Comparison is made with the available experimental and theoretical data. Excellent agreement is obtained for elastic differential cross sections; agreement for the inelastic differential cross sections is only moderate. Possible improvements to these calculations are discussed.