期刊
ATOMS
卷 5, 期 2, 页码 -出版社
MDPI
DOI: 10.3390/atoms5020016
关键词
transition energies; lifetimes; transition rates; multiconfiguration Dirac-Hartree-Fock
资金
- Swedish Research Council [2015-04842]
- Belgian F.R.S.- FNRS Fonds de la Recherche Scientifique [CDR J.0047.16]
- Science and Technology Facilities Council [PP/E001254/1, ST/P000665/1, ST/L000636/1, PP/E004857/2, ST/J000892/1] Funding Source: researchfish
- STFC [ST/P000665/1, PP/E004857/2, ST/J000892/1, PP/E001254/1, ST/L000636/1] Funding Source: UKRI
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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