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Atomic photoionization cross sections beyond the electric dipole approximation
KTH Royal Inst Technol, Dept Theoret Chem & Biol, S-10691 Stockholm, Sweden;Korea Adv Inst Sci & Technol, Dept Chem, Daejeon 34141, South Korea.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
KTH Royal Inst Technol, Dept Theoret Chem & Biol, S-10691 Stockholm, Sweden.
2019 (English)In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 150, no 4, article id 044306Article in journal (Refereed) Published
Abstract [en]

A methodology is developed to compute photoionization cross sections beyond the electric dipole approximation from response theory, using Gaussian type orbitals and plane waves for the initial and final states, respectively. The methodology is applied to compute photoionization cross sections of atoms and ions from the first four rows of the periodic table. Analyzing the error due to the plane wave description of the photoelectron, we find kinetic energy and concomitant photon energy thresholds above which the plane wave approximation becomes applicable. The correction introduced by going beyond the electric dipole approximation increases with photon energy and depends on the spatial extension of the initial state. In general, the corrections are below 10% for most elements, at a photon energy reaching up to 12 keV.

Place, publisher, year, edition, pages
2019. Vol. 150, no 4, article id 044306
National Category
Atom and Molecular Physics and Optics Theoretical Chemistry
Identifiers
URN: urn:nbn:se:uu:diva-377346DOI: 10.1063/1.5083649ISI: 000457414600056PubMedID: 30709292OAI: oai:DiVA.org:uu-377346DiVA, id: diva2:1291389
Funder
Knut and Alice Wallenberg Foundation, KAW-2013.0020Swedish Research Council, 621-2014-4646eSSENCE - An eScience CollaborationAvailable from: 2019-02-25 Created: 2019-02-25 Last updated: 2019-02-25Bibliographically approved

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Eriksson, Olle

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