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Hartree-Fock calculation of the differential photoionization cross sections of small Li clusters.
Galitskiy, S A; Artemyev, A N; Jänkälä, K; Lagutin, B M; Demekhin, Ph V.
Afiliação
  • Galitskiy SA; Institut für Physik, Universität Kassel, Heinrich-Plett-Str. 40, 34132 Kassel, Germany.
  • Artemyev AN; Institut für Physik, Universität Kassel, Heinrich-Plett-Str. 40, 34132 Kassel, Germany.
  • Jänkälä K; Department of Physics, University of Oulu, P.O. Box 3000, 90014 Oulu, Finland.
  • Lagutin BM; Research Institute of Physics, Southern Federal University, Stachki Ave. 194, 344090 Rostov-on-Don, Russia.
  • Demekhin PV; Institut für Physik, Universität Kassel, Heinrich-Plett-Str. 40, 34132 Kassel, Germany.
J Chem Phys ; 142(3): 034306, 2015 Jan 21.
Article em En | MEDLINE | ID: mdl-25612708
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 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 Li2 are in a good agreement with the available theoretical data, whereas those computed for Li3-8 clusters can be considered as theoretical predictions.

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Chem Phys Ano de publicação: 2015 Tipo de documento: Article País de afiliação: Alemanha

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Chem Phys Ano de publicação: 2015 Tipo de documento: Article País de afiliação: Alemanha