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Atomic photoionization cross sections beyond the electric dipole approximation
KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Theoretical Chemistry and Biology. Korea Adv Inst Sci & Technol, Dept Chem, Daejeon 34141, South Korea..ORCID iD: 0000-0003-1671-8298
Uppsala Univ, Dept Phys & Astron, SE-75120 Uppsala, Sweden..
KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Theoretical Chemistry and Biology.ORCID iD: 0000-0002-1191-4954
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. 2019 Author(s).

Place, publisher, year, edition, pages
AMER INST PHYSICS , 2019. Vol. 150, no 4, article id 044306
Keywords [en]
LEUZE M, 1994, MOLECULAR PHYSICS, V83, P655
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:kth:diva-244111DOI: 10.1063/1.5083649ISI: 000457414600056PubMedID: 30709292Scopus ID: 2-s2.0-85060862106OAI: oai:DiVA.org:kth-244111DiVA, id: diva2:1289755
Funder
Knut and Alice Wallenberg Foundation, KAW-2013.0020Swedish Research Council, 621-2014-4646
Note

QC 20190219

Available from: 2019-02-19 Created: 2019-02-19 Last updated: 2019-02-19Bibliographically approved

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