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Atomic photoionizat...
Atomic photoionization cross sections beyond the electric dipole approximation
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- Brumboiu, Iulia (author)
- KTH,Teoretisk kemi och biologi,KTH Royal Inst Technol, Dept Theoret Chem & Biol, S-10691 Stockholm, Sweden;Korea Adv Inst Sci & Technol, Dept Chem, Daejeon 34141, South Korea
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- Eriksson, Olle, 1960- (author)
- Uppsala universitet,Materialteori,Uppsala Univ, Dept Phys & Astron, SE-75120 Uppsala, Sweden.
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- Norman, Patrick (author)
- KTH,Teoretisk kemi och biologi,KTH Royal Inst Technol, Dept Theoret Chem & Biol, S-10691 Stockholm, Sweden
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(creator_code:org_t)
- AMER INST PHYSICS, 2019
- 2019
- English.
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In: Journal of Chemical Physics. - : AMER INST PHYSICS. - 0021-9606 .- 1089-7690. ; 150:4
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Abstract
Subject headings
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- 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).
Subject headings
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
- NATURVETENSKAP -- Fysik -- Atom- och molekylfysik och optik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Atom and Molecular Physics and Optics (hsv//eng)
- NATURVETENSKAP -- Kemi -- Teoretisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)
Keyword
- LEUZE M
- 1994
- MOLECULAR PHYSICS
- V83
- P655
Publication and Content Type
- ref (subject category)
- art (subject category)
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