The effect of the projectile intra-site Coulomb repulsion in the surface scattering of many-electron ions

In this work a theoretical study of the collision of many-electron ions with a surface is performed. The case of large angle collisions with respect to the surface and projectiles with an open shell is treated. Two important ingredients are considered in the theoretical model. One is the calculation of the interaction terms by considering the orientations of the projectile orbitals with respect to the reference frame provided by the surface. In this form the different symmetry considerations with respect to an isolated two-atom collision are introduced. The other one is the Coulomb repulsion between the electrons in the ion site, which is taken into account within a Hartree–Fock description of the time-dependent evolution. In this way our model calculation is able to reproduce the experimental trends observed in the scattering of N+ by a LiF surface.