HartreeFock calculation of the differential photoionization cross sections of small Li clusters
Abstract
Cross sections and angular distribution parameters for the singlephoton 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 HartreeFock 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:
 Institut für Physik, Universität Kassel, HeinrichPlettStr. 40, 34132 Kassel (Germany)
 Department of Physics, University of Oulu, P.O. Box 3000, 90014 Oulu (Finland)
 Research Institute of Physics, Southern Federal University, Stachki Ave. 194, 344090 RostovonDon (Russian Federation)
 (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; HARTREEFOCK METHOD; KINETIC ENERGY; LITHIUM; PHOTOIONIZATION
Citation Formats
Galitskiy, S. A., Artemyev, A. N., Jänkälä, K., Lagutin, B. M., Demekhin, Ph. V., Email: demekhin@physik.unikassel.de, and Research Institute of Physics, Southern Federal University, Stachki Ave. 194, 344090 RostovonDon. HartreeFock calculation of the differential photoionization cross sections of small Li clusters. United States: N. p., 2015.
Web. doi:10.1063/1.4905722.
Galitskiy, S. A., Artemyev, A. N., Jänkälä, K., Lagutin, B. M., Demekhin, Ph. V., Email: demekhin@physik.unikassel.de, & Research Institute of Physics, Southern Federal University, Stachki Ave. 194, 344090 RostovonDon. HartreeFock calculation of the differential photoionization cross sections of small Li clusters. United States. doi:10.1063/1.4905722.
Galitskiy, S. A., Artemyev, A. N., Jänkälä, K., Lagutin, B. M., Demekhin, Ph. V., Email: demekhin@physik.unikassel.de, and Research Institute of Physics, Southern Federal University, Stachki Ave. 194, 344090 RostovonDon. 2015.
"HartreeFock calculation of the differential photoionization cross sections of small Li clusters". United States.
doi:10.1063/1.4905722.
@article{osti_22416013,
title = {HartreeFock calculation of the differential photoionization cross sections of small Li clusters},
author = {Galitskiy, S. A. and Artemyev, A. N. and Jänkälä, K. and Lagutin, B. M. and Demekhin, Ph. V., Email: demekhin@physik.unikassel.de and Research Institute of Physics, Southern Federal University, Stachki Ave. 194, 344090 RostovonDon},
abstractNote = {Cross sections and angular distribution parameters for the singlephoton 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 HartreeFock 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.},
doi = {10.1063/1.4905722},
journal = {Journal of Chemical Physics},
number = 3,
volume = 142,
place = {United States},
year = 2015,
month = 1
}

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