Literature DB >> 25612708

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

S A Galitskiy1, A N Artemyev1, K Jänkälä2, B M Lagutin3, Ph V Demekhin1.   

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.

Entities:  

Year:  2015        PMID: 25612708     DOI: 10.1063/1.4905722

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  1 in total

1.  Circular Dichroism in Fluorescence Emission Following the C 1s→π* Excitation and Resonant Auger Decay of Carbon Monoxide.

Authors:  Martin Pitzer; Philipp Schmidt; Christian Ozga; Andreas Hans; Philipp Reiß; Ivan D Petrov; Anton N Artemyev; Arno Ehresmann; André Knie; Philipp V Demekhin
Journal:  Molecules       Date:  2018-06-26       Impact factor: 4.411

  1 in total

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