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Multiconfiguration dirac-hartree-fock calculations with spectroscopic accuracy : Applications to astrophysics

Jönsson, Per LU ; Gaigalas, Gediminas LU ; Rynkun, Pavel; Radžiute, Laima; Ekman, Jörgen LU ; Gustafsson, Stefan LU ; Hartman, Henrik LU ; Wang, Kai; Godefroid, Michel and Fischer, Charlotte Froese LU , et al. (2017) In Atoms 5(2).
Abstract

Atomic data, such as wavelengths, spectroscopic labels, broadening parameters and transition rates, are necessary for many applications, especially in plasma diagnostics, and for interpreting the spectra of distant astrophysical objects. The experiment with its limited resources is unlikely to ever be able to provide a complete dataset on any atomic system. Instead, the bulk of the data must be calculated. Based on fundamental principles and well-justified approximations, theoretical atomic physics derives and implements algorithms and computational procedures that yield the desired data. We review progress and recent developments in fully-relativistic multiconfiguration Dirac-Hartree-Fock methods and show how large-scale calculations... (More)

Atomic data, such as wavelengths, spectroscopic labels, broadening parameters and transition rates, are necessary for many applications, especially in plasma diagnostics, and for interpreting the spectra of distant astrophysical objects. The experiment with its limited resources is unlikely to ever be able to provide a complete dataset on any atomic system. Instead, the bulk of the data must be calculated. Based on fundamental principles and well-justified approximations, theoretical atomic physics derives and implements algorithms and computational procedures that yield the desired data. We review progress and recent developments in fully-relativistic multiconfiguration Dirac-Hartree-Fock methods and show how large-scale calculations can give transition energies of spectroscopic accuracy, i.e., with an accuracy comparable to the one obtained from observations, as well as transition rates with estimated uncertainties of a few percent for a broad range of ions. Finally, we discuss further developments and challenges.

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Contribution to journal
publication status
published
subject
keywords
Lifetimes, Multiconfiguration Dirac-Hartree-Fock, Transition energies, Transition rates
in
Atoms
volume
5
issue
2
publisher
MDPI AG
external identifiers
  • scopus:85045403230
ISSN
2218-2004
DOI
10.3390/atoms5020016
language
English
LU publication?
yes
id
f46e3525-02f2-46e0-a6bc-224d515fbc22
date added to LUP
2018-04-24 13:20:08
date last changed
2019-08-14 04:15:05
@article{f46e3525-02f2-46e0-a6bc-224d515fbc22,
  abstract     = {<p>Atomic data, such as wavelengths, spectroscopic labels, broadening parameters and transition rates, are necessary for many applications, especially in plasma diagnostics, and for interpreting the spectra of distant astrophysical objects. The experiment with its limited resources is unlikely to ever be able to provide a complete dataset on any atomic system. Instead, the bulk of the data must be calculated. Based on fundamental principles and well-justified approximations, theoretical atomic physics derives and implements algorithms and computational procedures that yield the desired data. We review progress and recent developments in fully-relativistic multiconfiguration Dirac-Hartree-Fock methods and show how large-scale calculations can give transition energies of spectroscopic accuracy, i.e., with an accuracy comparable to the one obtained from observations, as well as transition rates with estimated uncertainties of a few percent for a broad range of ions. Finally, we discuss further developments and challenges.</p>},
  articleno    = {16},
  author       = {Jönsson, Per and Gaigalas, Gediminas and Rynkun, Pavel and Radžiute, Laima and Ekman, Jörgen and Gustafsson, Stefan and Hartman, Henrik and Wang, Kai and Godefroid, Michel and Fischer, Charlotte Froese and Grant, Ian and Brage, Tomas and Del Zanna, Giulio},
  issn         = {2218-2004},
  keyword      = {Lifetimes,Multiconfiguration Dirac-Hartree-Fock,Transition energies,Transition rates},
  language     = {eng},
  month        = {06},
  number       = {2},
  publisher    = {MDPI AG},
  series       = {Atoms},
  title        = {Multiconfiguration dirac-hartree-fock calculations with spectroscopic accuracy : Applications to astrophysics},
  url          = {http://dx.doi.org/10.3390/atoms5020016},
  volume       = {5},
  year         = {2017},
}