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Extended transition rates and lifetimes in Al i and Al II from systematic multiconfiguration calculations

Papoulia, A. LU ; Ekman, J. LU and Jönsson, P. LU (2019) In Astronomy and Astrophysics 621.
Abstract

MultiConfiguration Dirac-Hartree-Fock (MCDHF) and relativistic configuration interaction (RCI) calculations were performed for 28 and 78 states in neutral and singly ionized aluminium, respectively. In Al I, the configurations of interest are 3s2nl for n = 3, 4, 5 with l = 0 to 4, as well as 3s3p2 and 3s26l for l = 0, 1, 2. In Al II, in addition to the ground configuration 3s2, the studied configurations are 3snl with n = 3 to 6 and l = 0 to 5, 3p2, 3s7s, 3s7p, and 3p3d. Valence and core-valence electron correlation effects are systematically accounted for through large configuration state function (CSF) expansions. Calculated excitation energies are found to be in excellent... (More)

MultiConfiguration Dirac-Hartree-Fock (MCDHF) and relativistic configuration interaction (RCI) calculations were performed for 28 and 78 states in neutral and singly ionized aluminium, respectively. In Al I, the configurations of interest are 3s2nl for n = 3, 4, 5 with l = 0 to 4, as well as 3s3p2 and 3s26l for l = 0, 1, 2. In Al II, in addition to the ground configuration 3s2, the studied configurations are 3snl with n = 3 to 6 and l = 0 to 5, 3p2, 3s7s, 3s7p, and 3p3d. Valence and core-valence electron correlation effects are systematically accounted for through large configuration state function (CSF) expansions. Calculated excitation energies are found to be in excellent agreement with experimental data from the National Institute of Standards and Technology (NIST) database. Lifetimes and transition data for radiative electric dipole (E1) transitions are given and compared with results from previous calculations and available measurements for both Al I and Al II. The computed lifetimes of Al I are in very good agreement with the measured lifetimes in high-precision laser spectroscopy experiments. The present calculations provide a substantial amount of updated atomic data, including transition data in the infrared region. This is particularly important since the new generation of telescopes are designed for this region. There is a significant improvement in accuracy, in particular for the more complex system of neutral Al I. The complete tables of transition data are available at the CDS.

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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
atomic data
in
Astronomy and Astrophysics
volume
621
publisher
EDP Sciences
external identifiers
  • scopus:85059473480
ISSN
0004-6361
DOI
10.1051/0004-6361/201833764
language
English
LU publication?
yes
id
b5c1a6ff-f924-493b-b748-2ed2b8d80ac0
date added to LUP
2019-01-18 13:45:12
date last changed
2019-01-18 13:45:12
@article{b5c1a6ff-f924-493b-b748-2ed2b8d80ac0,
  abstract     = {<p>MultiConfiguration Dirac-Hartree-Fock (MCDHF) and relativistic configuration interaction (RCI) calculations were performed for 28 and 78 states in neutral and singly ionized aluminium, respectively. In Al I, the configurations of interest are 3s<sup>2</sup>nl for n = 3, 4, 5 with l = 0 to 4, as well as 3s3p<sup>2</sup> and 3s<sup>26</sup>l for l = 0, 1, 2. In Al II, in addition to the ground configuration 3s<sup>2</sup>, the studied configurations are 3snl with n = 3 to 6 and l = 0 to 5, 3p<sup>2</sup>, 3s7s, 3s7p, and 3p3d. Valence and core-valence electron correlation effects are systematically accounted for through large configuration state function (CSF) expansions. Calculated excitation energies are found to be in excellent agreement with experimental data from the National Institute of Standards and Technology (NIST) database. Lifetimes and transition data for radiative electric dipole (E1) transitions are given and compared with results from previous calculations and available measurements for both Al I and Al II. The computed lifetimes of Al I are in very good agreement with the measured lifetimes in high-precision laser spectroscopy experiments. The present calculations provide a substantial amount of updated atomic data, including transition data in the infrared region. This is particularly important since the new generation of telescopes are designed for this region. There is a significant improvement in accuracy, in particular for the more complex system of neutral Al I. The complete tables of transition data are available at the CDS.</p>},
  articleno    = {A16},
  author       = {Papoulia, A. and Ekman, J. and Jönsson, P.},
  issn         = {0004-6361},
  keyword      = {atomic data},
  language     = {eng},
  publisher    = {EDP Sciences},
  series       = {Astronomy and Astrophysics},
  title        = {Extended transition rates and lifetimes in Al i and Al II from systematic multiconfiguration calculations},
  url          = {http://dx.doi.org/10.1051/0004-6361/201833764},
  volume       = {621},
  year         = {2019},
}