Michael C. Witthoeft

Nitrogen K-shell photoabsorption

Reliable atomic data have been computed for the spectral modeling of the nitrogen K lines, which may lead to useful astrophysical diagnostics. Data sets comprise valence and K-vacancy level energies, wavelengths, Einstein A-coefficients, radiative and Auger widths, and K-edge photoionization cross sections. An important issue is the lack of measurements that are usually employed to fine-tune calculations so as to attain spectroscopic accuracy. In order to estimate data quality, several atomic structure codes are used and extensive comparisons with previous theoretical data have been carried out. In the calculation of K photoabsorption with the Breit-Pauli R-matrix method, both radiation and Auger dampings, which cause the smearing of the K edge, are taken into account. This work is part of a wider project to compute atomic data in the X-ray regime to be included in the database of the popular XSTAR modeling code.

K-shell photoionization and photoabsorption of Ne, Mg, Si, S, Ar, and Ca

We present extensive computations of photoabsorption and photoionization cross sections across the K-edge of Ne, Mg, Si, S, Ar, and Ca ions with less than 11 electrons. The calculations are performed using the Breit-Pauli R-matrix method and 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 fine-structure levels within the n = 2 complex. 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 thresholds.

K-shell Photoionization of Na-like to Cl-like Ions of Mg, Si, S, Ar, and Ca

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 the modeling of features found in photoionized plasmas.

Atomic decay data for modeling the Al K-lines

Radiative and Auger decay data have been calculated for modeling the K lines of the aluminum isonuclear sequence, from Al 0 up to Al 11+ . Level energies, transition wavelengths, radiative transition probabilities, and radiative and Auger widths were determined using Cowan’s Hartree-Fock with relativistic corrections (HFR) method. Results are compared with data sets computed with the AUTOSTRUCTURE and GRASP atomic structure codes and with available experimental and theoretical values, mainly in highly ionized ions and in the solid state.

Radiative and Auger Decay Data for Modeling Nickel K Lines

Radiative and Auger decay data have been calculated for modeling the K lines in ions of the nickel isonuclear sequence, from Ni+ up to Ni27+. Level energies, transition wavelengths, radiative transition probabilities, and radiative and Auger widths have been determined using Cowans Hartree-Fock with relativistic corrections (HFR) method. Auger widths for the third-row ions (Ni+-Ni10+) have been computed using single-configuration average (SCA) compact formulae. Results are compared with data sets computed with the AUTOSTRUCTURE and MCDF atomic structure codes and with available experimental and theoretical values, mainly in highly ionized ions and in the solid state.

ERRATUM: “PHOTOIONIZATION MODELING OF OXYGEN K ABSORPTION IN THE INTERSTELLAR MEDIUM, THE CHANDRA GRATING SPECTRA OF XTE J1817-330” (2013, ApJ, 768, 60)

In the published version of this paper, there are some minor inaccuracies in the absorption-line wavelengths listed in Table 4 as a result of a faulty reduction procedure of the Obs6615 spectrum. The shifts have been detected in a comparison with the wavelengths listed for this spectrum in the Chandra Transmission Grating Catalog and Archive (TGCat8). They are due to incorrect centroid positions of the zero-order image in both reductions as determined by the tgdetect utility which, when disentangled, yield the improved line positions of the amended Table 4 given below. It must also be pointed out that other quantitative findings of the original paper: 1. Table 5, p. 9: the column density (NH), ionization parameter, oxygen abundance of the warmabs model and the normalization and photon index of the power-law model; 2. Table 6, p. 9: the hydrogen column density of the warmabs fit; 3. Table 7, p. 9: the present oxygen equivalent widths of XTE J1817-330; and 4. Table 8, p. 10: the present oxygen column densities of XTE J1817-330 derived from both the curve of growth and warmabs model fit have been revised in the new light and are, within the estimated uncertainty ranges, in good accord with the new rendering.

Improved Neutron-Capture Element Abundances in Planetary Nebulae

Spectroscopy of planetary nebulae (PNe) provides the means to investigate s-process enrichments of neutron(n)-capture elements that cannot be detected in Asymptotic Giant Branch (AGB) stars. However, accurate abundance determinations of these elements present a challenge. Corrections for unobserved ions can be large and uncertain, since in many PNe only one ion of a given n-capture element has been detected. Furthermore, the atomic data governing the ionization balance of these species are not well-determined, inhibiting the derivation of accurate ionization corrections. We present initial results of a program that addresses these challenges. Deep high-resolution optical spectroscopy of ~20 PNe has been performed to detect emission lines from trans-iron species including Se, Br, Kr, Rb and Xe. The optical spectral region provides access to multiple ions of these elements, which reduces the magnitude and importance of uncertainties in the ionization corrections. In addition, experimental and theoretical efforts are providing determinations of the photoionization cross sections and recombination rate coefficients of Se, Kr and Xe ions. These new atomic data will make it possible to derive robust ionization corrections for these elements. Together, our observational and atomic data results will enable n-capture element abundances to be determined with unprecedented accuracy in ionized nebulae.

Atomic decay data for modeling K lines of iron peak and light odd-Z elements

Complete data sets of level energies, transition wavelengths, A-values, radiative and Auger widths and fluorescence yields for K-vacancy levels of the F, Na, P, Cl, K, Sc, Ti, V, Cr, Mn, Co, Cu and Zn isonuclear sequences have been computed by a Hartree-Fock method that includes relativistic corrections as implemented in Cowan’s atomic structure computer suite. The atomic parameters for more than 3 million fine-structure K lines have been determined. Ions with electron number N > 9 are treated for the first time, and detailed comparisons with available measurements and theoretical data for ions with N ≤ 9 are carried out in order to estimate reliable accuracy ratings.

MODELING THE OXYGEN K ABSORPTION IN THE INTERSTELLAR MEDIUM: AN XMM-NEWTON VIEW OF Sco X-1

We investigate the X-ray absorption structure of oxygen in the interstellar medium by analyzing XMM-Newton observations of the low-mass X-ray binary Sco X-1. Simple models based on the O i atomic photoabsorption cross section from different sources are used to fit the data and evaluate the impact of the atomic data on the interpretation of the observations. We show that relatively small differences in the atomic calculations can yield spurious results, and that the most complete and accurate set of atomic cross sections successfully reproduce the observed data in the 21.0–24.5 A wavelength region of the spectrum. Our fits indicate that the absorption is mainly due to neutral gas with an ionization parameter of ξ = 10 −4 erg cm s −1 and an oxygen column density of NO ≈ (8–10) × 10 17 cm −2 . The models are able to reproduce both the K edge and the Kα absorption line from O i which are the two main features in this region. We find no conclusive evidence for absorption by anything other than atomic oxygen.

Astro-H Data Analysis, Processing and Archive

Astro-H (Hitomi) is an X-ray/Gamma-ray mission led by Japan with international participation, launched on February 17, 2016. The payload consists of four different instruments (SXS, SXI, HXI and SGD) that operate simultaneously to cover the energy range from 0.3 keV up to 600 keV. This paper presents the analysis software and the data processing pipeline created to calibrate and analyze the Hitomi science data along with the plan for the archive and user support. These activities have been a collaborative effort shared between scientists and software engineers working in several institutes in Japan and USA.