Abstract
A test of the lattice, time-dependent Schrödinger equation (LTDSE) method for treating inelastic ion–atom collisions is performed by treating state-selective charge transfer in 10–1000 keV/u Be4+ + H collisions. This system possesses a greater charge asymmetry of the colliding nuclei than has been treated in previous applications of the method. Consequently, its ability to represent well the dynamical evolution of the electronic wavefunction within the combination of a shallow and a deep potential well with a single coordinate- and momentum-space discretization is tested. New results are also computed using other, standard approaches, the atomic-orbital close-coupling and classical trajectory Monte Carlo methods, to provide comparisons with the LTDSE results owing to their well-established regimes of applicability and behaviours.
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