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  • Papoulia, AsiminaMalmö 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 (author)

Coulomb (Velocity) Gauge Recommended in Multiconfiguration Calculations of Transition Data Involving Rydberg Series

  • Article/chapterEnglish2019

Publisher, publication year, extent ...

  • 2019-11-26
  • MDPI,2019
  • electronicrdacarrier

Numbers

  • LIBRIS-ID:oai:DiVA.org:mau-17260
  • https://urn.kb.se/resolve?urn=urn:nbn:se:mau:diva-17260URI
  • https://doi.org/10.3390/atoms7040106DOI
  • https://lup.lub.lu.se/record/a20ba7b4-5278-4370-aa52-5012ad9445e0URI

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  • Language:English
  • Summary in:English

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  • Subject category:ref swepub-contenttype
  • Subject category:art swepub-publicationtype

Notes

  • 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.

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  • Ekman, JörgenMalmö University,Malmö universitet,Institutionen för materialvetenskap och tillämpad matematik (MTM)(Swepub:lu)kosu-jek (author)
  • Gaigalas, GediminasVilnius Univ, Inst Theoret Phys & Astron, Sauletekio Av 3, LT-10222 Vilnius, Lithuania.,Vilnius University(Swepub:lu)teor-ggg (author)
  • Godefroid, MichelUniv Libre Bruxelles, Chim Quant & Photophys, B-1050 Brussels, Belgium.,Université Libre de Bruxelles (ULB) (author)
  • Gustafsson, StefanMalmö University,Malmö universitet,Institutionen för materialvetenskap och tillämpad matematik (MTM)(Swepub:mau)TSSTGU (author)
  • Hartman, HenrikMalmö University,Malmö universitet,Institutionen för materialvetenskap och tillämpad matematik (MTM)(Swepub:lu)fysi-hha (author)
  • Li, WenxianMalmö University,Malmö universitet,Institutionen för materialvetenskap och tillämpad matematik (MTM)(Swepub:mau)AG5805 (author)
  • Radziute, LaimaVilnius Univ, Inst Theoret Phys & Astron, Sauletekio Av 3, LT-10222 Vilnius, Lithuania.,Vilnius University (author)
  • Rynkun, PavelMalmö University (author)
  • Schiffmann, SachaLund 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)(Swepub:lu)sa2063sc (author)
  • Wang, KaiHebei Univ, Coll Phys Sci & Technol, Hebei Key Lab Opt Elect Informat Mat, Baoding 071002, Peoples R China.,Hebei University (author)
  • Jönsson, PerMalmö University,Malmö universitet,Institutionen för materialvetenskap och tillämpad matematik (MTM)(Swepub:mau)tspejo (author)
  • Malmö universitetInstitutionen för materialvetenskap och tillämpad matematik (MTM) (creator_code:org_t)

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  • In:Atoms: MDPI7:42218-2004

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