VI/153 K-shell photoabsorption and photoionization (Mendoza+, 2016-18)
K-shell photoabsorption and photoionisation of trace elements.
I. Isoelectronic sequences with electron number 3 ≤ N ≤ 11.
II. Isoelectronic sequences with electron number 12 ≤ N ≤ 18.
III. Isoelectronic sequences with electron number 19 ≤ N ≤ 26.
Mendoza C., Bautista M.A., Palmeri P., Quinet P., Witthoeft M.C.,
Kallman T.R.
<Astron. Astrophys. 589, A137 (2016);
Astron. Astrophys., 604, A63 (2017);
Astron. Astrophys. 616, A62 (2018)>
=2018yCat.6153....0M 2018yCat.6153....0M
=2016A&A...589A.137P 2016A&A...589A.137P
+2017A&A...604A..63M 2017A&A...604A..63M
+2018A&A...616A..62M 2018A&A...616A..62M
ADC_Keywords: Atomic physics
Keywords: atomic data - X-rays: general
Abstract:
This is the final report of a three-paper series on the K-shell
photoabsorption and photoionization of trace elements (low cosmic
abundance), namely F, Na, P, Cl, K, Sc, Ti, V, Cr, Mn, Co, Cu, and Zn.
K lines and edges from such elements are observed in the X-ray spectra
of supernova remnants, galaxy clusters, and accreting black holes and
neutron stars, their diagnostic potential being limited by poor atomic
data. We here complete the previously reported radiative datasets with
new photoabsorption and photoionization cross sections for
isoelectronic sequences with electron number 19≤N≤26. We also
describe the access to and integrity and usability of the whole
resulting atomic database. Target representations were obtained with
the atomic structure code AUTOSTRUCTURE. Where possible, cross
sections for ground-configuration states were computed with the
Breit--Pauli R-matrix method (BPRM) in either intermediate or LS
coupling including damping (radiative and Auger) effects; otherwise
and more generally, they were generated in the isolated-resonance
approximation with AUTOSTRUCTURE. Cross sections were computed with
BPRM only for the K (N=19) and Ca (N=20) isoelectronic sequences, the
latter in LS coupling. For the remaining sequences (21≤N≤26),
AUTOSTRUCTURE was run in LS-coupling mode taking into account damping
effects. Comparisons between these two methods for K-like ZnXII and
Ca-like ZnXI show that to ensure reasonable accuracy, the LS
calculations must be performed taking into account the
non-fine-structure relativistic corrections. The original data
structures of the BPRM and AUTOSTRUCTURE output files, namely
photoabsorption and total and partial photoionization cross sections,
are maintained but supplemented with files detailing the target
(NT-electron system, where NT=N-1) representations and photon
states (N-electron system). We conclude that because of the large
target size, the photoionization of ions with N>20 involving
inner-shell excitations rapidly leads to untractable BPRM
calculations, and is then more effectively treated in the isolated
resonance approximation with AUTOSTRUCTURE. This latter approximation
by no means involves small calculations as Auger damping must be
explicitly specified in the intricate decay routes.
Description:
The database consists of photoabsorption and total and partial
photoionization cross sections for chemical elements of low cosmic
abundance (F, Na, P, Cl, K, Sc, Ti, V, Cr, Mn, Co, Cu and Zn). Files
are labeled as zznn_filetype, where zz is the elemental atomic number
and nn the ionic electron number. Tables 2-5 list energy-level data
for target and photon states.
File Summary:
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FileName Lrecl Records Explanations
--------------------------------------------------------------------------------
ReadMe 80 . This file
table2.dat 64 6404 Energy-level data for target ions (2≤NT≤18)
table3.dat 56 18996 Energy-level data for target ions (19≤NT≤25)
table4.dat 57 516 Energy-level data for photon states (3≤N≤19)
table5.dat 57 392 Energy-level data for photon states (20≤N≤26)
database/* . 669 *Files for photoabsorption and total and partial
photoionization cross sections for chemical
elements of low cosmic abundance
--------------------------------------------------------------------------------
Note on database/* : Files are labeled as zznn_filetype, where zz is the
elemental atomic number and nn the ionic electron number.
zznn_xpatot : Total photoabsorption cross sections
(09≤zz≤30) and (02≤nn≤19)
zznn_xpisum : Sum of partial photoionization cross sections
(09≤zz≤30) and (02≤nn≤19)
zznn_xpipar : Partial photoionization cross sections
(09≤zz≤30) and (02≤nn≤19)
zznn_xpitot : Total photoabsorption cross sections
(22≤zz≤30) and (20≤nn≤25)
zznn_xdpisum : Sum of direct partial photoionization cross sections
(22≤zz≤30)and (20≤nn≤25)
zznn_xdpipar : Direct partial photoionization cross sections
(22≤zz≤30)and (20≤nn≤25)
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Byte-by-byte Description of file: table2.dat
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Bytes Format Units Label Explanations
--------------------------------------------------------------------------------
4- 5 I2 --- Z [9/30] Atomic number
9- 10 I2 --- NT [2/18] Target electron number
14- 15 I2 --- i [1/68] Target level i
18 I1 --- 2S+1 [1/6] Spin multiplicity
21 I1 --- L [0/3] Total orbital angular momentum
quantum number
24 I1 --- Pi [0/1] Parity quantum number (0= even, 1= odd)
27 I1 --- 2J [0/8] 2x total angular momentum quantum number
30- 44 A15 --- Conf Electron configuration
48- 49 A2 --- Term Spectroscopic term assignment
53- 64 F12.6 Ry E Level energy
--------------------------------------------------------------------------------
Byte-by-byte Description of file: table3.dat
--------------------------------------------------------------------------------
Bytes Format Units Label Explanations
--------------------------------------------------------------------------------
4- 5 I2 --- Z [22/30] Atomic number
9- 10 I2 --- NT [19/25] Target electron number
13- 15 I3 --- i [1/913] Target level i
18 I1 --- 2S+1 [1/8] Spin multiplicity
21 I1 --- L [0/7] Total orbital angular momentum
quantum number
24 I1 --- Pi [0/1] Parity quantum number (0= even, 1= odd)
27- 37 A11 --- Conf Electron configuration
40- 41 A2 --- Term Spectroscopic term assignment
45- 56 F12.6 Ry E Level energy
--------------------------------------------------------------------------------
Byte-by-byte Description of file: table4.dat
--------------------------------------------------------------------------------
Bytes Format Units Label Explanations
--------------------------------------------------------------------------------
4- 5 I2 --- Z [9/30] Atomic number
9- 10 I2 --- N [3/19] Target+e electron number
15 I1 --- i [1/5] Target level i
18 I1 --- zero [0] Zero
21 I1 --- 2J [0/5] 2x total angular momentum quantum number
24 I1 --- Pi [0/1] Parity quantum number (0= even, 1= odd)
27 I1 --- Lev [1/3] Level index with a (J,Pi) series
30- 36 A7 --- Conf Electron configuration
41- 42 A2 --- Term Spectroscopic term assignment
47- 57 F11.6 Ry E Level energy
--------------------------------------------------------------------------------
Byte-by-byte Description of file: table5.dat
--------------------------------------------------------------------------------
Bytes Format Units Label Explanations
--------------------------------------------------------------------------------
4- 5 I2 --- Z [22/30] Atomic number
9- 10 I2 --- N [20/26] Target+e electron number
14- 15 I2 --- i [1/16] Target level i
18 I1 --- 2S+1 [1/6] Spin multiplicity
21 I1 --- L [0/6] Total orbital angular momentum
quantum number
24 I1 --- Pi [0/1] Parity quantum number (0= even, 1= odd)
27 I1 --- Lev [1/3] Level index with an (S,L,Pi) series
30- 38 A9 --- Conf Electron configuration
41- 42 A2 --- Term Spectroscopic term assignment
48- 57 F10.6 Ry E Level energy
--------------------------------------------------------------------------------
Acknowledgements:
Claudio Mendoza Guardia, claudio.mendozaguardia(at)wmich.edu
(End) Claudio Mendoza [WMU, USA], Patricia Vannier [CDS] 26-Jul-2018