New calculations of P(b) curves for 1s_σexcitation in low-Z (Z⩽10) ion-atom scattering

Abstract

Ab initio fully relativistic SCF molecular calculations of energy eigenvalues as weIl as coupling-matrix elements are used to calculate the ISa excitation differential cross section for Ne-Ne and Ne-O in ion-atom collisions. A relativistic perturbation treatment which allows a direct comparison with analogous non-relativistic calculations is also performed.

Multiple vacancy inclusive probabilities for the scattering system 16 MeV S16+on Ar*

“…This program produces ab initio single particle MO energies as well as all the rotational and radial coupling matrix elements between the molecular levels. In a second step we solve the time-dependent scattering problem with the MO states as a basis by performing coupled-channel calculations for the considered static MO states [2]. This results in single-particle transition amplitudes of the electrons in the incoming and outgoing channels.…”