Orbital sensitivity in Mg2+ dielectronic recombination calculations

J. Fu, T.W. Gorczyca, D. Nikolic, N.R. Badnell, D.W. Savin, M.F. Gu

Research output: Contribution to journalArticle

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Abstract

We have investigated the reason for significant discrepancies between the results of two recent, similar computational methods [Zatsarinny et al., Astron. Astrophys. 426, 699 (2004); Gu, Astrophys. J. 590, 1131 (2003)] for dielectronic recombination (DR) of Mg2+. It is found that the choice of orbital description can lead to discrepancies by as much as a factor of 2 between total peak DR rate coefficients resulting from otherwise-identical computations. These unexpected differences are attributed to the large sensitivity to bound-orbital relaxation and continuum-orbital description effects on the computed radiative and autoionizing transitions arising from accidental cancellation. In order to obviate these effects, an approach, using a separate, nonorthogonal orbital basis for each configuration, is employed to yield a DR rate coefficient that we assess to be more reliable than all earlier published results.
LanguageEnglish
JournalPhysical Review A
Volume77
Issue number3
DOIs
Publication statusPublished - Mar 2008

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orbitals
sensitivity
coefficients
cancellation
continuums
configurations

Keywords

  • dielectronic recombination
  • Mg2+
  • orbital description

Cite this

Fu, J. ; Gorczyca, T.W. ; Nikolic, D. ; Badnell, N.R. ; Savin, D.W. ; Gu, M.F. / Orbital sensitivity in Mg2+ dielectronic recombination calculations. In: Physical Review A. 2008 ; Vol. 77, No. 3.
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Orbital sensitivity in Mg2+ dielectronic recombination calculations. / Fu, J.; Gorczyca, T.W.; Nikolic, D.; Badnell, N.R.; Savin, D.W.; Gu, M.F.

In: Physical Review A, Vol. 77, No. 3, 03.2008.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Orbital sensitivity in Mg2+ dielectronic recombination calculations

AU - Fu, J.

AU - Gorczyca, T.W.

AU - Nikolic, D.

AU - Badnell, N.R.

AU - Savin, D.W.

AU - Gu, M.F.

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AB - We have investigated the reason for significant discrepancies between the results of two recent, similar computational methods [Zatsarinny et al., Astron. Astrophys. 426, 699 (2004); Gu, Astrophys. J. 590, 1131 (2003)] for dielectronic recombination (DR) of Mg2+. It is found that the choice of orbital description can lead to discrepancies by as much as a factor of 2 between total peak DR rate coefficients resulting from otherwise-identical computations. These unexpected differences are attributed to the large sensitivity to bound-orbital relaxation and continuum-orbital description effects on the computed radiative and autoionizing transitions arising from accidental cancellation. In order to obviate these effects, an approach, using a separate, nonorthogonal orbital basis for each configuration, is employed to yield a DR rate coefficient that we assess to be more reliable than all earlier published results.

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