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Register a new userK-shell photoabsorption and photoionization of trace elements. III. Isoelectronic sequences with electron number $19leq Nleq 26$
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This is the final report of a three-paper series on the K-shell photoabsorption and photoionization of trace elements, 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 are completing the previously reported radiative datasets with new photoabsorption and photoionization cross sections for isoelectronic sequences with electron number $19leq Nleq 26$. We are also giving attention to the access, integrity and usability of the whole resulting atomic database. Target representations are obtained with the atomic structure code AUTOSTRUCTURE. Where possible, cross sections for ground-configuration states are 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 are 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 rest of the sequences ($21leq N leq 26$), AUTOSTRUCTURE was run in $LS$-coupling mode taking into account damping effects. Comparisons between these two methods for K-like Zn XII and Ca-like Zn XI show that, to ensure reasonable accuracy, the $LS$ calculations must be performed taking into account the non-fine-structure relativistic corrections.
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We are concerned with improving the diagnostic potential of the K lines and edges of elements with low cosmic abundances that are observed in the X-ray spectra of supernova remnants, galaxy clusters and accreting black holes and neutron stars. Since accurate photoabsorption and photoionization cross sections are needed in their spectral models, they have been computed for isoelectronic sequences with electron number $12leq Nleq 18$ using a multi-channel method. Target representations are obtained with the atomic structure code AUTOSTRUCTURE, and ground-state cross sections are computed with the Breit--Pauli $R$-matrix method (BPRM) in intermediate coupling, including damping (radiative and Auger) effects. The contributions from channels associated with the 2s-hole $[2{rm s}]mu$ target configurations and those containing 3d orbitals are studied in the Mg and Ar isoelectronic sequences. Cross sections for the latter ions are also calculated in the isolated-resonance approximation as implemented in AUTOSTRUCTURE and compared with BPRM to test their accuracy. It is confirmed that the collisional channels associated with the $[2{rm s}]mu$ target configurations must be taken into account owing to significant increases in the monotonic background cross section between the L and K edges. Target configurations with 3d orbitals give rise to fairly conspicuous unresolved transition arrays in the L-edge region, but to a much lesser extent in the K-edge which is our main concern; therefore, they have been neglected throughout owing to their computationally intractable channel inventory, thus allowing the computation of cross sections for all the ions with $12leq Nleq 18$ in intermediate coupling with BPRM. We find that the isolated-resonance approximations performs satisfactorily.
X-ray photoabsorption cross sections have been computed for all magnesium ions using the $R$-matrix method. A comparison with the other available data for Mg II-Mg X shows good qualitative agreement in the resultant resonance shapes. However, for the lower ionization stages, and for singly-ionized Mg II in particular, the previous $R$-matrix results (Witthoeft et al.2009; Witthoeft et al. 2011) overestimate the K-edge position due to the neglect of important orbital relaxation effects, and a global shift downward in photon energy of those cross sections is therefore warranted. We have found that the cross sections for Mg I and Mg II are further complicated by the M-shell ($n=3$) occupancy. As a result, the treatment of spectator Auger decay of $1srightarrow np$ resonances using a method based on multichannel quantum defect theory and an optical potential becomes problematic, making it necessary to implement an alternative, approximate treatment of Auger decay for neutral Mg. The new cross sections are used to fit the Mg K edge in XMM-Newton spectra of the low-mass X-ray binary GS 1826-238, where most of the interstellar Mg is found to be in ionized form.
K-shell photoabsorption cross sections for the isonuclear C I - C IV ions have been computed using the R-matrix method. Above the K-shell threshold, the present results are in good agreement with the independent-particle results of Reilman & Manson (1979). Below threshold, we also compute the strong 1s -> np absorption resonances with the inclusion of important spectator Auger broadening effects. For the lowest 1s -> 2p, 3p resonances, comparisons to available C II, C III, and C IV experimental results show good agreement in general for the resonance strengths and positions, but unexplained discrepancies exist. Our results also provide detailed information on the C I K-shell photoabsorption cross section including the strong resonance features, since very limited laboratory experimental data exist. The resultant R-matrix cross sections are then used to model the Chandra X-ray absorption spectrum of the blazar Mkn 421.
We present $R$-matrix calculations of photoabsorption and photoionization cross sections across the K-edge of Mg, Si, S, Ar, and Ca ions with more than 10 electrons. The calculations include the effects of radiative and Auger damping by means of an optical potential. The wave functions are constructed from single-electron orbital bases obtained using a Thomas--Fermi--Dirac statistical model potential. Configuration interaction is considered among all states up to $n=3$. The damping processes affect the resonances converging to the K-thresholds causing them to display symmetric profiles of constant width that smear the otherwise sharp edge at the photoionization threshold. These data are important for modeling of features found in photoionized plasmas.
Photoionization of Kr$^+$ ions was studied in the energy range from 23.3 eV to 39.0 eV at a photon energy resolution of 7.5 meV. Absolute measurements were performed by merging beams of Kr$^+$ ions and of monochromatized synchrotron undulator radiation. Photoionization (PI) of this Br-like ion is characterized by multiple Rydberg series of autoionizing resonances superimposed on a direct photoionization continuum. Resonance features observed in the experimental spectra are spectroscopically assigned and their energies and quantum defects tabulated. The high-resolution cross-section measurements are benchmarked against state-of-the-art theoretical cross-section calculations from the Dirac-Coulomb R-matrix method.
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