Effective one-electron approach to proton collisions with molecular hydrogen

Abstract The two-centre wave-packet convergent close-coupling approach to ion–atom collisions is extended study proton with molecular hydrogen including electron-capture channels. We use a model potential represent the target as an effective one-electron spherically symmetric system. This greatly simplifies structure, allowing us already existing code developed for ion single-electron targets. Calculated total cross sections electron capture, single ionisation, and excitation processes generally agree well experimental data other theoretical calculations where available. However, capture section found overestimate at low energies, while ionisation slightly underestimated. Additionally, we present state-resolved into 1s, 2 $$\ell $$ ℓ , 3 states of projectile deviation between various previous substantial. Our results lead overall improvement over studies although discrepancies experiment are observed 3p 3d capture. conclude that treating system within coupled-channel targets can give reasonably accurate intermediate high without need complex computationally demanding two-electron representation.