J/A+A/538/A52 Spectroscopic data for ionized scandium (Massacrier+, 2012)
Extensive spectroscopic data for multiply ionized scandium: Sc III to Sc XXI.
Massacrier G., Artru M.-C.
<Astron. Astrophys. 538, A52 (2012)>
=2012A&A...538A..52M 2012A&A...538A..52M
ADC_Keywords: Atomic physics
Keywords: stars: abundances - stars: chemically peculiar - atomic data - opacity
Abstract:
Spectroscopic data for scandium is sparse, while an extensive set is
needed to introduce this element into stellar opacity calculations
and, more importantly, into stellar models dealing with radiative
diffusion. Our goal is to provide extensive energy levels and
radiative transitions data for nineteen ionization stages of scandium
relevant to stellar interiors, namely from Sc III to Sc XXI.
We used the FAC code. This code provides ab initio theoretical values
for energy levels in jj-coupling and oscillator strengths of all
permitted transitions. Detailed correspondences are established with
compiled data from the National Institute of Standards and Technology
(NIST) database, to locate as much as possible the observed levels and
lines at their experimental values and to estimate the quality of our
data. Comparisons were also made with the spectroscopic data delivered
by Kurucz.
The theoretical data retained in tables include 21842 levels and more
than two millions transitions. By comparison, the NIST compilation
gives a total of 820 levels and 677 gf-values. The good agreement
obtained when comparing the new data with those of the NIST
compilation demonstrates their quality. This work on scandium shows
that the FAC code is efficient in providing spectroscopic data that
are unavailable from laboratory analyses but necessary for accurate
simulations of stellar plasmas.
Description:
These tabulated data are the result of our calculations using the FAC
code for the atomic structure (level description, energies...) and
transitions (wavelengths, oscillator strengths...) for the nineteen
ions of scandium Sc III to Sc XXI. It gives for each ion all the
levels below the first ionization threshold, except for the first
Rydberg series, limited to n<11. Electric dipolar transitions between
all these levels are given under two forms: a table limited to lines
with log10(gf)>-3, and extensive separate tables for each ion.
The level energies have been adjusted from a thorough comparison with
the experimental NIST database, and transition data corrected
accordingly. In each table the first columns tabulate our results and
can be read independently from the last columns which give the NIST
values when it is tabulated in NIST.
File Summary:
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FileName Lrecl Records Explanations
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ReadMe 80 . This file
table4.dat 141 1047095 *Wavelengths and gf-values for Sc III to Sc XXI
table5.dat 122 21861 *Level list for Sc III to Sc XXI
sc01el.dat 58 760 *Extensive line list for Sc XXI
sc02el.dat 65 2405 *Extensive line list for Sc XX
sc03el.dat 65 772 *Extensive line list for Sc XIX
sc04el.dat 65 22525 *Extensive line list for Sc XVIII
sc05el.dat 65 78222 *Extensive line list for Sc XVII
sc06el.dat 65 193160 *Extensive line list for Sc XVI
sc07el.dat 65 234556 *Extensive line list for Sc XV
sc08el.dat 65 169540 *Extensive line list for Sc XIV
sc09el.dat 65 79762 *Extensive line list for Sc XIII
sc10el.dat 65 16036 *Extensive line list for Sc XII
sc11el.dat 65 761 *Extensive line list for Sc XI
sc12el.dat 65 23335 *Extensive line list for Sc X
sc13el.dat 65 78098 *Extensive line list for Sc IX
sc14el.dat 65 315152 *Extensive line list for Sc VIII
sc15el.dat 65 486911 *Extensive line list for Sc VII
sc16el.dat 58 225433 *Extensive line list for Sc VI
sc17el.dat 65 109498 *Extensive line list for Sc V
sc18el.dat 65 17323 *Extensive line list for Sc IV
sc19el.dat 65 729 *Extensive line list for Sc III
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Note on table4.dat: limited to dipolar transitions with log10(gf)>-3, in a
format similar to Kurucz' databases. The order of the transitions is from
Sc III to Sc XXI, and for each ion in increasing order of the wavelength.
Columns are added for those transitions which have a correspondence in NIST.
Note on table5.dat: The order of the levels is from Sc III to Sc XXI, and for
each ion in increasing order of the excitation energy. This list includes for
each level an index number which is used in the extensive line lists; the last
line for each ion describes the ionization threshold.
Columns are added for those levels which are NIST-tabulated.
Note on sc*el.dat: limited to transitions with log10(gA/gAmax)>-7, where
gA_max is the maximum weighted transition probability for this ion. The order
of the transitions is in increasing energy order of the upper level, and for a
given upper level in increasing energy order of the lower level.
Columns are added for those transitions which have a correspondence in NIST.
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Byte-by-byte Description of file: table4.dat
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Bytes Format Units Label Explanations
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1- 14 F14.6 nm lambda [0.2,] Wavelength in vacuum
16- 21 F6.3 [-] log(gf) Weighted oscillator strength gf (log10)
23- 27 F5.2 --- Ion [21.02/21.20] Ion code for ScIII to ScXXI
29- 37 A9 --- Ionspec Spectroscopic ion name
39- 50 F12.2 cm-1 Elow Excitation energy of the lower level
52- 55 F4.1 --- Jlow [0/11] Total angular momentum of lower level
57- 68 F12.2 cm-1 Eup Excitation energy of the upper level
70- 73 F4.1 --- Jup [0/12] Total angular momentum of upper level
75- 77 A3 --- nllow Outer electron subshell for the lower level
79- 81 A3 --- nlup Outer electron subshell for the upper level
83- 87 A5 --- Flag Flag for a comparison with NIST (G1)
89-100 F12.4 nm lambdaN ? NIST wavelength (2)
104-109 F6.3 --- log(gfN) ? NIST gf value (log10)(3)
112 A1 --- f_ElowN ([) Flag on ElowN (4)
113-123 F11.2 cm-1 ElowN ? NIST energy (cm-1) of the lower level (4)
125-126 A2 --- n_ElowN [ +x] Flag on ElowN (4)
128 A1 --- f_EupN ([) Flag on EupN (4)
129-139 F11.2 cm-1 EupN ? NIST energy (cm-1) of the upper level (4)
140-141 A2 --- n_EupN [ +x] Flag on EupN (4)
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Note (2): Origin of value:
if No, observed value as found in NIST
if Nr, Ritz value as found in NIST
if P, wavelength predicted from the NIST level energies
Note (3): if present (deduced from A value if only the latter is present)
Note (4): NIST value for the level energy, if present, is written as in the
original NIST database. It allows to infer its precision.
"[" means that the value is theoretical,
"+x" means that the level is part of a system not connected to the ground
state.
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Byte-by-byte Description of file: table5.dat
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Bytes Format Units Label Explanations
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1- 2 I2 --- Nel [1/19] Number of electrons (1 for ScXXI)
4- 8 I5 --- i [0/2661] Index number of the level (1)
10- 21 F12.2 cm-1 E Adopted excitation energy of the level
23- 25 I3 --- 2J+1 [-24/25] Degeneracy 2J+1 of the level
times -1/1 for odd/even level
27- 46 A20 --- Conf Leading configuration
48- 57 F10.2 cm-1 DEF Difference between the adopted energy (col.3)
and the FAC result
59- 68 F10.2 cm-1 DEN ? Difference between the adopted energy
(col.3) and the NIST value (2)
71 A1 --- f_EN ([) Flag on EN (3)
72- 82 F11.2 cm-1 EN ? Level energy according to NIST (3)
83- 84 A2 --- n_EN [ +x] Flag on EN (3)
86-122 A37 --- LevelN ? NIST level designation (2)
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Note (1): Starting from 1 for the ground state of each ion; energy ordered;
the last line for each ion has index 0 and gives the ionization threshold.
Note (2): If the level is tabulated by NIST
Note (3): NIST value for the level energy, if present, is written as in the
original NIST database. It allows to infer its precision.
"[" means that the value is theoretical,
"+x" means that the level is part of a system not connected to the
ground state.
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Byte-by-byte Description of file: sc*el.dat
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Bytes Format Units Label Explanations
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1- 5 I5 --- iup [2/2661] Index number of the upper level (1)
7- 9 I3 --- 2J+1up [-24/25] Degeneracy 2J+1 of the upper level
times -1/1 for odd/even level
11- 15 I5 --- ilow [0/2661] Index number of the lower level (1)
17- 19 I3 --- 2J+1low [-24/25] Degeneracy 2J+1 of the lower level
times -1/1 for odd/even level
21- 32 F12.2 cm-1 Eline Energy of the transition
34- 39 F6.3 [-] log(gf) Weighted oscillator strength gf (log10)
41- 45 A5 --- Flag Flag for a comparison with NIST (G1)
47- 58 F12.2 cm-1 ElineN ? NIST energy of the transition (3)
60- 65 F6.3 --- log(gfN) ? NIST gf value (log10)(4)
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Note (1): as found in table5.dat (level list) for this ion
Note (3): Origin of value:
* if No or Nr, as given in NIST database
* if P, deduced from the NIST level energies
Note (4): if present (deduced from A value if only the latter is present).
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Global Notes:
Note (G1): Flag for a comparison with NIST as follows:
No = observed line in NIST database (no gf)
No gf = observed line in NIST database, given with a gf or A value
Nr = Ritz (predicted) line in NIST database (no gf)
Nr gf = Ritz (predicted) line in NIST database, given with a gf or A value
P = line predicted from two NIST levels, but absent in NIST (no gf)
blank = no corresponding line in NIST
Acknowledgements:
Gerard Massacrier, gerard.massacrier(at)ens-lyon.fr
(End) Gerard Massacrier [CRAL, Lyon Obs.], Patricia Vannier [CDS] 16-Dec-2011