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

• 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.

Ämnesord

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)

Nyckelord

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

Publikations- och innehållstyp

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