Convergent molecular close-coupling calculations for ion-atom collisions from low to intermediate energies

We propose a new scheme for molecular close-coupling calculations, in terms of a 'triple-centre' basis of adiabatic molecular orbitals, augmented with a set of Gaussian pseudostates centred at a point between the nuclei. The ability of this expansion to simultaneously reproduce electron excitation, capture and ionization is shown for He2+ +H(ls) and H+ + H(ls) collisions. Convergence checks are performed to confirm the accuracy of the results presented.