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Title: Hartree-Fock calculation of the differential photoionization cross sections of small Li clusters

Cross sections and angular distribution parameters for the single-photon ionization of all electron orbitals of Li{sub 2−8} 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 details 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 Li{sub 2} are in a good agreement with the available theoretical data, whereas those computed for Li{sub 3−8} clusters can be considered as theoretical predictions.
Authors:
;  [1] ;  [2] ;  [3] ;  [1] ;  [4]
  1. Institut für Physik, Universität Kassel, Heinrich-Plett-Str. 40, 34132 Kassel (Germany)
  2. Department of Physics, University of Oulu, P.O. Box 3000, 90014 Oulu (Finland)
  3. Research Institute of Physics, Southern Federal University, Stachki Ave. 194, 344090 Rostov-on-Don (Russian Federation)
  4. (Russian Federation)
Publication Date:
OSTI Identifier:
22416013
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 142; Journal Issue: 3; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; 74 ATOMIC AND MOLECULAR PHYSICS; ANGULAR DISTRIBUTION; ATOMIC CLUSTERS; DIFFERENTIAL CROSS SECTIONS; ELECTRONS; HARTREE-FOCK METHOD; KINETIC ENERGY; LITHIUM; PHOTOIONIZATION