Heidelberg 2015 – wissenschaftliches Programm
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MO: Fachverband Molekülphysik
MO 5: Posters 1: Novelties in Molecular Physics
MO 5.1: Poster
Montag, 23. März 2015, 17:00–19:00, C/Foyer
Hartree-Fock calculation of the differential photoionization cross sections of small Li clusters — •Sergey A Galitskiy1, Anton N Artemyev1, Kari Jänkälä2, Boris M Lagutin3, and Philipp V Demekhin1 — 1Institut für Physik, Universität Kassel, Heinrich-Plett-Str. 40, 34132 Kassel, Germany — 2Department of Physics, University of Oulu, P.O. BOX 3000, 90014 Oulu, Finland — 3Research Institute of Physics, Southern Federal University, Stachki av. 194, 344090 Rostov-on-Don, Russia
Cross sections and angular distribution parameters for the single-photon ionization of all electron orbitals of Li2−8 are systematically computed in a broad interval of the photoelectron kinetic energies for the energetically most stable geometry of each cluster. Calculations of the partial photoelectron continuum waves in clusters are carried out by the Single Center method within the Hartree-Fock approximation. We study photoionization cross sections per one electron and analyze in some detail general trends in the photoionization of inner and outer shells with respect to the size and geometry of a cluster. The present differential cross sections computed for Li2 are in a good agreement with the available theoretical data, whereas those computed for Li3−8 clusters can be considered as theoretical predictions.