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Coulomb (Velocity) ...
Coulomb (Velocity) Gauge Recommended in Multiconfiguration Calculations of Transition Data Involving Rydberg Series
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- Papoulia, Asimina (author)
- Malmö University,Lund University,Lunds universitet,Malmö universitet,Institutionen för materialvetenskap och tillämpad matematik (MTM),Lund Univ, Dept Phys, Div Math Phys, SE-22100 Lund, Sweden.,Matematisk fysik,Fysiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Mathematical Physics,Department of Physics,Departments at LTH,Faculty of Engineering, LTH
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- Ekman, Jörgen (author)
- Malmö University,Malmö universitet,Institutionen för materialvetenskap och tillämpad matematik (MTM)
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- Gaigalas, Gediminas (author)
- Vilnius Univ, Inst Theoret Phys & Astron, Sauletekio Av 3, LT-10222 Vilnius, Lithuania.,Vilnius University
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- Godefroid, Michel (author)
- Univ Libre Bruxelles, Chim Quant & Photophys, B-1050 Brussels, Belgium.,Université Libre de Bruxelles (ULB)
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- Gustafsson, Stefan (author)
- Malmö University,Malmö universitet,Institutionen för materialvetenskap och tillämpad matematik (MTM)
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- Hartman, Henrik (author)
- Malmö University,Malmö universitet,Institutionen för materialvetenskap och tillämpad matematik (MTM)
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- Li, Wenxian (author)
- Malmö University,Malmö universitet,Institutionen för materialvetenskap och tillämpad matematik (MTM)
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- Radziute, Laima (author)
- Vilnius Univ, Inst Theoret Phys & Astron, Sauletekio Av 3, LT-10222 Vilnius, Lithuania.,Vilnius University
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- Rynkun, Pavel (author)
- Malmö University
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- Schiffmann, Sacha (author)
- Lund University,Lunds universitet,Matematisk fysik,Fysiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Mathematical Physics,Department of Physics,Departments at LTH,Faculty of Engineering, LTH,Université Libre de Bruxelles (ULB)
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- Wang, Kai (author)
- Hebei Univ, Coll Phys Sci & Technol, Hebei Key Lab Opt Elect Informat Mat, Baoding 071002, Peoples R China.,Hebei University
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- Jönsson, Per (author)
- Malmö University,Malmö universitet,Institutionen för materialvetenskap och tillämpad matematik (MTM)
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(creator_code:org_t)
- 2019-11-26
- 2019
- English.
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In: Atoms. - : MDPI. - 2218-2004. ; 7:4
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Abstract
Subject headings
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- Astronomical spectroscopy has recently expanded into the near-infrared (nIR) wavelength region, raising the demands on atomic transition data. The interpretation of the observed spectra largely relies on theoretical results, and progress towards the production of accurate theoretical data must continuously be made. Spectrum calculations that target multiple atomic states at the same time are by no means trivial. Further, numerous atomic systems involve Rydberg series, which are associated with additional difficulties. In this work, we demonstrate how the challenges in the computations of Rydberg series can be handled in large-scale multiconfiguration Dirac-Hartree-Fock (MCDHF) and relativistic configuration interaction (RCI) calculations. By paying special attention to the construction of the radial orbital basis that builds the atomic state functions, transition data that are weakly sensitive to the choice of gauge can be obtained. Additionally, we show that the Babushkin gauge should not always be considered as the preferred gauge, and that, in the computations of transition data involving Rydberg series, the Coulomb gauge could be more appropriate for the analysis of astrophysical spectra. To illustrate the above, results from computations of transitions involving Rydberg series in the astrophysically important C IV and C III ions are presented and analyzed.
Subject headings
- NATURVETENSKAP -- Fysik -- Atom- och molekylfysik och optik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Atom and Molecular Physics and Optics (hsv//eng)
- NATURVETENSKAP -- Fysik -- Astronomi, astrofysik och kosmologi (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Astronomy, Astrophysics and Cosmology (hsv//eng)
Keyword
- infrared spectra
- spectrum calculations
- multiconfiguration methods
- Rydberg series
- Rydberg states
- electric dipole transitions
- transition rates
- Babushkin gauge
- Coulomb gauge
- length form
- velocity form
- Babushkin gauge
- Coulomb gauge
- Electric dipole transitions
- Infrared spectra
- Length formVelocity form
- Multiconfiguration methods
- Rydberg series
- Rydberg states
- Spectrum calculations
- Transition rates
Publication and Content Type
- ref (subject category)
- art (subject category)
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- By the author/editor
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Papoulia, Asimin ...
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Ekman, Jörgen
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Gaigalas, Gedimi ...
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Godefroid, Miche ...
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Gustafsson, Stef ...
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Hartman, Henrik
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Li, Wenxian
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Radziute, Laima
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Rynkun, Pavel
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Schiffmann, Sach ...
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Wang, Kai
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Jönsson, Per
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and Atom and Molecul ...
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NATURAL SCIENCES
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Malmö University
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Lund University