Hamburg 2009 – scientific programme
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A: Fachverband Atomphysik
A 34: Poster II
A 34.29: Poster
Thursday, March 5, 2009, 16:30–19:00, VMP 9 Poster
Calculation of capture and ionisation processes in ion-water-molecule collisions — •Tobias Spranger1, Tom Kirchner1, and Hans-Jürgen Lüdde2 — 1Institut für Theoretische Physik, TU Clausthal, Germany — 2Institut für Theoretische Physik, Goethe-Universität Frankfurt, Germany
The Basis Generator Method is a rather sucessful method for calculating ionisation, transfer, and excitation probabilities for ion-atom collisions. Since it is a two-centre basis method, an extension is necessary to address ion-molecule collisions. Some tests show that molecular orbitals (MO) of water can be described with sufficient accuracy in an atomic oxygen basis. Based on this insight we are developing an approach to calculate ionisation and capture processes during ion impact on water molecules. One further aspect of our approach is that we treat the system as an ensemble of all molecular orientations. By using the integral of the ensemble density over all orientations we only need one calculation in order to get mean results for randomly oriented molecules. First results of proton-water collisions will be presented.