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Atoms 2017, 5(2), 16; doi:10.3390/atoms5020016

Multiconfiguration Dirac-Hartree-Fock Calculations with Spectroscopic Accuracy: Applications to Astrophysics

1
Materials Science and Applied Mathematics, Malmö University, SE-205 06 Malmö, Sweden
2
Institute of Theoretical Physics and Astronomy, Vilnius University, Saulėtekio av. 3, LT-10222 Vilnius, Lithuania
3
Chimie Quantique et Photophysique, Université libre de Bruxelles, B-1050 Brussels, Belgium
4
Department of Computer Science, University of British Columbia, Vancouver, BC V6T 1Z4, Canada
5
Mathematical Institute, University of Oxford, Woodstock Road, Oxford OX2 6GG, UK
6
Department of Applied Mathematics and Theoretical Physics, Centre for Mathematical Sciences, University of Cambridge, Wilberforce Road, Cambridge CB3 0WA, UK
7
Division of Mathematical Physics, Department of Physics, Lund University, 221-00 Lund, Sweden
*
Author to whom correspondence should be addressed.
Academic Editor: Joseph Reader
Received: 31 January 2017 / Revised: 5 April 2017 / Accepted: 7 April 2017 / Published: 14 April 2017
(This article belongs to the Special Issue Spectra of Ionized Atoms: From Laboratory to Space)
View Full-Text   |   Download PDF [353 KB, uploaded 14 April 2017]   |  

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 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. View Full-Text
Keywords: transition energies; lifetimes; transition rates; multiconfiguration Dirac-Hartree-Fock; PACS; 31.15.am; 32.30.Jc; 32.70.Cs transition energies; lifetimes; transition rates; multiconfiguration Dirac-Hartree-Fock; PACS; 31.15.am; 32.30.Jc; 32.70.Cs
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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MDPI and ACS Style

Jönsson, P.; Gaigalas, G.; Rynkun, P.; Radžiūtė, L.; Ekman, J.; Gustafsson, S.; Hartman, H.; Wang, K.; Godefroid, M.; Froese Fischer, C.; Grant, I.; Brage, T.; Del Zanna, G. Multiconfiguration Dirac-Hartree-Fock Calculations with Spectroscopic Accuracy: Applications to Astrophysics. Atoms 2017, 5, 16.

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