J/A+A/621/A16 AlI and AlII extended transition rates (Papoulia+, 2019)
Extended transition rates and lifetimes in Al I and Al II from systematic
multiconfiguration calculations.
Papoulia A., Ekman J., Jonsson P.
<Astron. Astrophys. 621, A16 (2019)>
=2019A&A...621A..16P 2019A&A...621A..16P (SIMBAD/NED BibCode)
ADC_Keywords: Atomic physics
Keywords: atomic data
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
AlI 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 AlII, 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
AlI and AlII. The computed lifetimes of AlI 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 AlI.
The complete tables of transition data are available online.
Description:
Transition data for all the computed transitions in AlI (see Table 1)
and AlII (see Table 2). In Cols. 1 and 2 the upper and lower levels
taking part in the transition are displayed. The transition energies
ΔE and wavelengths λ are given in Cols. 3 and 4,
respectively. Finally, the transition rates A and oscillator strengths
gf are given in Cols. 6 and 7. In both tables, the data are sorted
energy-wise, starting with the transition that corresponds to the
highest energy.
File Summary:
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FileName Lrecl Records Explanations
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ReadMe 80 . This file
table1.dat 78 28 Computed excitation energies for the 28
lowest states in AlI
table2.dat 101 4 LS-composition of the computed states belonging
to the strongly mixed 3s2 nd Rydberg
series in AlI
table8.dat 82 78 Computed excitation energies for the 78 lowest
states in AlII
trans.dat 86 588 Transition data for AlI and AlII
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Byte-by-byte Description of file: table1.dat
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Bytes Format Units Label Explanations
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1- 2 I2 --- Pos [1/28] Identification number (1)
4- 11 A8 --- Conf Configuration (1)
14- 26 A13 --- LSJ LSJ term (1)
28- 32 I5 cm-1 EVV7 Computed excitation energy, accounting for VV
correlation, with the maximum principle
quantum number of the orbitals included in
the active set is n=7
34- 38 I5 cm-1 EVV8 Computed excitation energy, accounting for VV
correlation, with the maximum principle
quantum number of the orbitals included in
the active set is n=8
40- 44 I5 cm-1 EVV9 Computed excitation energy, accounting for VV
correlation, with the maximum principle
quantum number of the orbitals included in
the active set is n=9
46- 50 I5 cm-1 EVV10 Computed excitation energy, accounting for VV
correlation, with the maximum principle
quantum number of the orbitals included in
the active set is n=10
52- 56 I5 cm-1 EVV11 Computed excitation energy, accounting for VV
correlation, with the maximum principle
quantum number of the orbitals included in
the active set is n=11
58- 62 I5 cm-1 EVV12 Computed excitation energy, accounting for VV
correlation, with the maximum principle
quantum number of the orbitals included in
the active set is n=12
64- 68 I5 cm-1 ECV Final energy value displayed after accounting
for CV correlation
70- 74 I5 --- Eobs Observed energy from NIST (G1)
76- 78 I3 --- DeltaE Difference between the final computations and
the observed values
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Note (1): The sequence and labelling of the configurations and LS J-levels are
in accordance with the final (CV) computed energies. The 3s2 4d 2D term is
assigned twice throughout the calculations (see also Table 2) and the
subscripts a and b are used to distinguish them.
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Byte-by-byte Description of file: table2.dat
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Bytes Format Units Label Explanations
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1- 5 A5 --- Pos Positions, according to table1
7- 14 A8 --- Conf Configuration
16- 29 A14 --- LSJ LSJ term
31- 76 A46 --- LSComp LS-composition (1)
78-101 A24 --- Label labelling of the corresponding observed terms
as given in the NIST Database (G1)
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Note (1): The three most dominant LS-components are displayed. The first
percentage value corresponds to the assigned configuration and term.
In all these cases, the percentages for the two different LS J-levels are the
same and are therefore given in the same line.
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Byte-by-byte Description of file: table8.dat
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Bytes Format Units Label Explanations
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1- 2 I2 --- Pos [1/78] Identification number (1)
4- 9 A6 --- Conf Configuration (1)
11- 21 A11 --- LSJ LSJ term (1)
23- 28 I6 cm-1 EVV8 Computed excitation energy, accounting for VV
correlation, with the maximum principle
quantum number of the orbitals included in
the active set is n=8
30- 35 I6 cm-1 EVV9 Computed excitation energy, accounting for VV
correlation, with the maximum principle
quantum number of the orbitals included in
the active set is n=9
37- 42 I6 cm-1 EVV10 Computed excitation energy, accounting for VV
correlation, with the maximum principle
quantum number of the orbitals included in
the active set is n=10
44- 49 I6 cm-1 EVV11 Computed excitation energy, accounting for VV
correlation, with the maximum principle
quantum number of the orbitals included in
the active set is n=11
51- 56 I6 cm-1 EVV12 Computed excitation energy, accounting for VV
correlation, with the maximum principle
quantum number of the orbitals included in
the active set is n=12
58- 63 I6 cm-1 EVV13 Computed excitation energy, accounting for VV
correlation, with the maximum principle
quantum number of the orbitals included in
the active set is n=13
65- 70 I6 cm-1 ECV Final energy value displayed after accounting
for CV correlation
72- 77 I6 --- Eobs ? Observed energy from NIST (G1)
79- 82 I4 --- DeltaE ? Difference between the final computations
and the observed values (2)
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Note (1): The sequence and labelling of the configurations and LS J-levels are
in accordance with the final (CV) computed energies.
Note (2): The levels of the singlet and triplet 3s6h 1,3H and the 3p3d 1D
level have not yet been observed, and so the DeltaE values are not available.
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Byte-by-byte Description of file: trans.dat
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Bytes Format Units Label Explanations
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1- 4 A4 --- El Element (AlI or AlII)
6- 27 A22 --- Upper Upper level
29- 49 A21 --- Lower Lower level
51- 56 I6 cm-1 DeltaE Transition enegy, ΔE
59- 68 F10.3 0.1nm lambda Wavelength (Å)
70- 77 E8.3 s-1 A Transition rate
79- 86 E8.3 --- gf Oscillator strength
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Global notes:
Note (G1): NIST Atomic Spectra Database 2018 (Kramida et al., 2018, NIST
Atomic Spectra Database, ver. 5.5.3 (Online), available:
https://physics.nist.gov/asd (2018, March 15), National Institute of
Standards and Technology, Gaithersburg, MD).
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Acknowledgements:
Asimina Papoulia, asimina.papoulia(at)mau.se
(End) Patricia Vannier [CDS] 18-Oct-2018