Electron scattering and photoionization of one-electron diatomic molecules

We develop an efficient numerical procedure for solving the scattering problem on one-electron diatomic molecules in the fixed-nuclei approximation. For this purpose, we use the R-matrix propagation method together with the discrete variable representation method in prolate spheroidal coordinates. The demonstrated elastic scattering differential cross sections and the photoionization differential cross sections for H-2(+) and HeH2+ exhibit oscillating structures owing to the two-center nature of the molecules. We analyze them by using the Coulomb corrected independent-atom model to identify the two-center quantum interference, and it is found that multiple-scattering effects become important in the heteronuclear system.