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

Authors :
Ph. V. Demekhin
Sergey Galitskiy
Kari Jänkälä
A. N. Artemyev
B. M. Lagutin
Source :
The Journal of Chemical Physics. 142:034306
Publication Year :
2015
Publisher :
AIP Publishing, 2015.

Abstract

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.

Details

ISSN :
10897690 and 00219606
Volume :
142
Database :
OpenAIRE
Journal :
The Journal of Chemical Physics
Accession number :
edsair.doi.dedup.....1f6a2b1439e41a6b87e2cdea48d9010f
Full Text :
https://doi.org/10.1063/1.4905722