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We present a study of the C K-edge using high-resolution LETGS Chandra spectra of four novae during their super-soft-source (SSS) phase. We identified absorption lines due to C~ii K$\alpha$, C~iii K$\alpha$ and C~ iii K$\beta$ resonances. We used these astronomical observations to perform a benchmarking of the atomic data, which involves wavelength shifts of the resonances and photoionization cross-sections. We used improved atomic data to estimate the C~ii and C~iii column densities. The absence of physical shifts for the absorption lines, the consistence of the column densities between multiple observations and the high temperature required for the SSS nova atmosphere modeling support our conclusion about an ISM origin of the respective absorption lines. Assuming a collisional ionization equilibrium plasma the maximum temperature derived from the ratio of C~ii/C~iii column densities of the absorbers correspond to $T_{max}< 3.05\times10^{4}$ K., Comment: 7 pages, 7 figures

We present improved fits to our treatment of suppression of dielectronic recombination at intermediate densities. At low densities, most recombined excited states eventually decay to the ground state, and therefore the total dielectronic recombination rate to all levels is preserved. At intermediate densities, on the other hand, collisions can lead to ionization of higher-lying excited states, thereby suppressing the dielectronic recombination rate. The improved suppression factors presented here, although highly approximate, allow summed recombination rate coefficients to be used to intermediate densities. There have been several technical improvements to our previously presented fits. For H- through B-like ions the activation log densities have been adjusted to better reproduce existing data. For B-, C-, Al-, and Si-like ions secondary autoionization is now included. The treatment of density discontinuity in electron excitations out of ground state H-, He-, and Ne-like ions has been improved. These refined dielectronic recombination suppression factors are used in the most recent version of the plasma simulation code Cloudy. We show how the ionization and emission spectrum change when this physics is included. Although these suppression factors improve the treatment of intermediate densities, they are highly approximate and are not a substitution for a complete collisional-radiative model of the ionization balance.

Context.We aim to present a comprehensive theoretical investigation of dielectronic recombination (DR) of the silicon-like isoelectronic sequence and provide DR and radiative recombination (RR) data that can be used within a generalized collisional-radiative modelling framework.Aims.Total and final-state level-resolved DR and RR rate coefficients for the ground and metastable initial levels of 16 ions between P+and Zn16+are determined.Methods.We carried out multi-configurational Breit-Pauli DR calculations for silicon-like ions in the independent processes, isolated resonance, distorted wave approximation. Both Δnc= 0 and Δnc= 1 core excitations are included usingLSand intermediate coupling schemes.Results.Results are presented for a selected number of ions and compared to all other existing theoretical and experimental data. The total dielectronic and radiative recombination rate coefficients for the ground state are presented in tabulated form for easy implementation into spectral modelling codes. These data can also be accessed from the Atomic Data and Analysis Structure (ADAS) OPEN-ADAS database. This work is a part of an assembly of a dielectronic recombination database for the modelling of dynamic finite-density plasmas.

Reliably interpreting spectra from electron-ionized cosmic plasmas requires accurate ionization balance calculations for the plasma in question. However, much of the atomic data needed for these calculations have not been generated using modern theoretical methods and are often highly suspect. This translates directly into the reliability of the collisional ionization equilibrium (CIE) calculations. We make use of state-of-the-art calculations of dielectronic recombination (DR) rate coefficients for the hydrogenic through Na-like ions of all elements from He up to and including Zn. We also make use of state-of-the-art radiative recombination (RR) rate coefficient calculations for the bare through Na-like ions of all elements from H through to Zn. Here we present improved CIE calculations for temperatures from $10^4$ to $10^9$ K using our data and the recommended electron impact ionization data of \citet{Mazz98a} for elements up to and including Ni and Mazzotta (private communication) for Cu and Zn. DR and RR data for ionization stages that have not been updated are also taken from these two additional sources. We compare our calculated fractional ionic abundances using these data with those presented by Mazzotta et al. for all elements from H to Ni. The differences in peak fractional abundance are up to 60%. We also compare with the fractional ionic abundances for Mg, Si, S, Ar, Ca, Fe, and Ni derived from the modern DR calculations of \citet{Gu03a,Gu04a} for the H-like through Na-like ions, and the RR calculations of \citet{Gu03b} for the bare through F-like ions. These results are in better agreement with our work, with differences in peak fractional abundance of less than 10%., Comment: 83 pages, 38 figures, 41 tables Accepted to ApJS

Using the five-electron K-shell vacancy 1s2s22p2 configuration as an example, we show that the fluorescence yields of the eight LSJ states of the configuration exhibit a dramatic dependence on LSJ. These results demonstrate that, in general, configuration-average fluorescence data are inappropriate for astrophysical modeling.

Partial and total dielectronic recombination (DR) rate coefficients for fluorine- like ions forming neon-like systems have been calculated as part of the assembly of a final-state level-resolved DR database necessary for the modelling of dynamic finite-density plasmas (Badnell et al. 2003). Calculations have been performed for DR of both ground and metastable initial states for Ne+ to Zn21+, as well as for Kr27+, Mo33+, and Xe45+. Results for a selection of ions are presented and discussed. We find that low-temperature DR, via 2 -> 2 core excitations involving no change in the principal quantum number of the core electron, does not scale smoothly with nuclear charge Z due to resonances straddling the ionization limit of the recombined system, thereby making explicit calculations for each ion necessary. Most of the earlier calculations neglected contributions from the fine-structure 2p(3/2)-2p(1/2) excitation which has been shown to be very important for low-temperature DR coefficients. The DR data are suitable for modelling of solar and cosmic plasmas under conditions of collisional ionization equilibrium, photoionization equilibrium, and non-equilibrium ionization.

Dielectronic recombination (DR) and radiative recombination (RR) data for neon-like ions forming sodium-like systems has been calculated as part of the assembly of a DR database necessary for modelling of dynamic and/or finite-density plasmas (Badnell et al. 2003). Dielectronic recombination coefficients for neon-like ions from Na + to Zn 20+ , as well as Kr 26+ , Mo 32+ , Cd 38+ , and Xe 44+ , are presented and the results discussed.

Dielectronic recombination (DR) and radiative recombination (RR) data for carbon-like ions forming nitrogen-like ions have been calculated as part of the assembly of a level-resolved DR and RR database necessary for modelling of dynamic finite-density plasmas (Badnell et al. 2003). Total DR and RR rate coefficients are presented and the results discussed for N + to Zn 24+ ,a s well as Kr 30+ ,M o 36+ ,C d 42+ ,a nd Xe 48+ . We find that the 2 → 2 (no change in the principal quantum number of the core electron) low-temperature DR does not scale smoothly with nuclear charge Z due to resonances straddling the ionization limit, thereby making explicit calculations for each ion necessary. The RR and DR data are suitable for modelling of solar and cosmic plasmas under conditions of collisional ionization equilibrium, photoionization equilibrium, and non-equilibrium ionization.

We have measured dielectronic recombination (DR) resonance strengths and energies for carbon-like Fe XXI forming Fe XX and for boron-like Fe XXII forming Fe XXI via N = 2 → N' = 2 core excitations. All measurements were carried out using the heavy-ion Test Storage Ring at the Max-Planck-Institute for Nuclear Physics in Heidelberg, Germany. We have also calculated these resonance strengths and energies using three independent, state-of-the-art perturbative techniques: a multiconfiguration Breit-Pauli (MCBP) method using the code AUTOSTRUCTURE, a multiconfiguration Dirac-Fock (MCDF) method, and a relativistic configuration interaction method using the Flexible Atomic Code (FAC). Overall, reasonable agreement is found between our experimental results and our theoretical calculations. The most notable discrepancies tend to occur for relative collision energies 3 eV. We have used our measured 2 → 2 results to produce Maxwellian-averaged rate coefficients for Fe XXI and Fe XXII. Our experimentally derived rate coefficients are estimated to be accurate to better than ≈20% both for Fe XXI at kBTe > 0.5 eV and for Fe XXII at kBTe > 0.001 eV. For these results, we provide fits that are accurate to better than 0.5% for Fe XXI at 0.001 eV ≤ kBTe ≤ 10,000 eV and for Fe XXII at 0.02 eV kBTe ≤ 10,000 eV. Our fitted rate coefficients are suitable for ionization balance calculations involving Fe XXI and Fe XXII in photoionized plasmas. Previous published Burgess formula and LS-coupling calculations are in poor agreement with our experimentally derived rate coefficients. None of these published calculations reliably reproduce the magnitude or temperature dependence of our experimental results. Our previously published Fe XXI MCDF results are in good agreement with our experimental results for kBTe 0.07 eV. For both ions in this temperature range our new MCBP, MCDF, and FAC results are in excellent agreement with our experimentally derived rate coefficient.

We have measured resonance strengths and energies for dielectronic recombination (DR) of Fe XIX forming Fe XVIII via N = 2 → N' = 2 and N = 2 → N' = 3 core excitations. All measurements were carried out using the heavy-ion Test Storage Ring at the Max Planck Institute for Nuclear Physics in Heidelberg, Germany. We have also calculated these resonance strengths and energies using two independent, state-of-the-art techniques: the perturbative multiconfiguration Breit-Pauli (MCBP) and multiconfiguration Dirac-Fock (MCDF) methods. Overall, reasonable agreement is found between our experimental results and theoretical calculations. The most notable discrepancies are for the 3l3l' resonances. The calculated MCBP and MCDF resonance strengths for the n = 3 complex lie, respectively, ≈47% and ≈31% above the measured values. These discrepancies are larger than the estimated 20% total experimental uncertainty in our measurements. We have used our measured 2 → 2 and 2 → 3 results to produce a Maxwellian-averaged rate coefficient for DR of Fe XIX. Our experimentally derived rate coefficient is estimated to be good to better than ≈20% for kBTe ≥ 1 eV. Fe XIX is predicted to form in photoionized and collisionally ionized cosmic plasmas at kBTe 1 eV. Hence, our rate coefficient is suitable for use in ionization balance calculations of these plasmas. Previously published theoretical DR rate coefficients are in poor agreement with our experimental results. None of these published calculations reliably reproduce the magnitude or temperature dependence of the experimentally derived rate coefficient. Our MCBP and MCDF results agree with our experimental rate coefficient to within ≈20%.

We have measured the resonance strengths and energies for dielectronic recombination (DR) of Fe XX forming Fe XIX via N=2 --> N'=2 (Delta_N=0) core excitations. We have also calculated the DR resonance strengths and energies using AUTOSTRUCTURE, HULLAC, MCDF, and R-matrix methods, four different state-of-the-art theoretical techniques. On average the theoretical resonance strengths agree to within ~30% which is significantly larger than the estimated relative experimental uncertainty of ~1 eV, which includes the predicted formation temperatures for Fe XX in an optically thin, low-density photoionized plasma with cosmic abundances, our experimental and theoretical results are in good agreement. We have also used our R-matrix results, topped off using AUTOSTRUCTURE for RR into J>=25 levels, to calculate the rate coefficient for RR of Fe XX. Our RR results are in good agreement with previously published calculations.

Chandra high-resolution spectra toward eight low-mass Galactic binaries have been analyzed with a photoionization model that is capable of determining the physical state of the interstellar medium. Particular attention is given to the accuracy of the atomic data. Hydrogen column densities are derived with a broadband fit that takes into account pileup effects, and in general are in good agreement with previous results. The dominant features in the oxygen-edge region are O I and O II K$\alpha$ absorption lines whose simultaneous fits lead to average values of the ionization parameter of $\log\xi=-2.90$ and oxygen abundance of $A_{\rm O}=0.70$. The latter is relative to the standard by Grevesse & Sauval (1998), but a rescaling with the revision by Asplund et al. (2009) would lead to an average abundance value fairly close to solar. The low average oxygen column density ($N_{\rm O}=9.2 \times 10^{17}$ cm$^{-2}$) suggests a correlation with the low ionization parameters, the latter also being in evidence in the column density ratios OII/OI and OIII/OI that are estimated to be less than 0.1. We do not find conclusive evidence for absorption by any other compound but atomic oxygen., Comment: 32 pages, 7 figures, Accepted for publication in the Astrophysical Journal

We have developed a general model for determining density-dependent effective dielectronic recombination (DR) rate coefficients in order to explore finite-density effects on the ionization balance of plasmas. Our model consists of multiplying by a suppression factor those highly-accurate total zero-density DR rate coefficients which have been produced from state-of-the-art theoretical calculations and which have been benchmarked by experiment. The suppression factor is based-upon earlier detailed collision-radiative calculations which were made for a wide range of ions at various densities and temperatures, but used a simplified treatment of DR. A general suppression formula is then developed as a function of isoelectronic sequence, charge, density, and temperature. These density-dependent effective DR rate coefficients are then used in the plasma simulation code Cloudy to compute ionization balance curves for both collisionally ionized and photoionized plasmas at very low (ne = 1 cm^-3) and finite (ne=10^10 cm^-3) densities. We find that the denser case is significantly more ionized due to suppression of DR, warranting further studies of density effects on DR by detailed collisional-radiative calculations which utilize state-of-the-art partial DR rate coefficients. This is expected to impact the predictions of the ionization balance in denser cosmic gases such as those found in nova and supernova shells, accretion disks, and the broad emission line regions in active galactic nuclei., Comment: main article (27 pages, 7 figures); supporting information (37 pages, 46 figures)

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 a theoretical investigation of dielectronic recombination (DR) of Ar-like ions that sheds new light on the behavior of the rate coefficient at low-temperatures where these ions form in photoionized plasmas. We provide results for the total and partial Maxwellian-averaged DR rate coefficients from the initial ground level of K II -- Zn XIII ions. It is expected that these new results will advance the accuracy of the ionization balance for Ar-like M-shell ions and pave the way towards a detailed modeling of astrophysically relevant X-ray absorption features. We utilize the AUTOSTRUCTURE computer code to obtain the accurate core-excitation thresholds in target ions and carry out multiconfiguration Breit-Pauli (MCBP) calculations of the DR cross section in the independent-processes, isolated-resonance, distorted-wave (IPIRDW) approximation. Our results mediate the complete absence of direct DR calculations for certain Ar-like ions and question the reliability of the existing empirical rate formulas, often inferred from renormalized data within this isoelectronic sequence.

Dielectronic recombination (DR) is the dominant recombination process for most heavy elements in photoionized clouds. Accurate DR rates for a species can be predicted when the positions of autoionizing states are known. Unfortunately such data are not available for most third and higher-row elements. This introduces an uncertainty that is especially acute for photoionized clouds, where the low temperatures mean that DR occurs energetically through very low-lying autoionizing states. This paper discusses S$^{2+} \rightarrow$ S$^+$ DR, the process that is largely responsible for establishing the [S~III]/[S~II] ratio in nebulae. We derive an empirical rate coefficient using a novel method for second-row ions, which do have accurate data. Photoionization models are used to reproduce the [O~III] / [O~II] / [O~I] / [Ne~III] intensity ratios in central regions of the Orion Nebula. O and Ne have accurate atomic data and can be used to derive an empirical S$^{2+} \rightarrow$ S$^+$ DR rate coefficient at $\sim 10^{4}$~K. We present new calculations of the DR rate coefficient for S$^{2+} \rightarrow$ S$^+$ and quantify how uncertainties in the autoionizing level positions affect it. The empirical and theoretical results are combined and we derive a simple fit to the resulting rate coefficient at all temperatures for incorporation into spectral synthesis codes. This method can be used to derive empirical DR rates for other ions, provided that good observations of several stages of ionization of O and Ne are available., Ap.J. At Press

We present an X-ray absorption model for the interstellar medium, to be referred to as ISMabs, that takes into account both neutral and ionized species of cosmically abundant elements, and includes the most accurate atomic data available. Using high-resolution spectra from eight X-ray binaries obtained with the Chandra High Energy Transmission Grating Spectrometer, we proceed to benchmark the atomic data in the model particularly in the neon K-edge region. Compared with previous photoabsorption models, which solely rely on neutral species, the inclusion of ions leads to improved spectral fits. Fit parameters comprise the column densities of abundant contributors that allow direct estimates of the ionization states. ISMabs is provided in the appropriate format to be implemented in widely used X-ray spectral fitting packages such as XSPEC, ISIS and SHERPA., Comment: 14 page, 13 figures

We present high-resolution spectroscopy of the neon K-shell and iron L-shell interstellar absorption edges in nine X-ray binaries using the High Energy Transmission Grating Spectrometer (HETGS) onboard the Chandra X-ray Observatory. We found that the iron absorption is well fit by an experimental determination of the cross-section for metallic iron, although with a slight wavelength shift of ~20 mA. The neon edge region is best fit by a model that includes the neutral neon edge and three Gaussian absorption lines. We identify these lines as due to the 1s-2p transitions from Ne II, Ne III, and Ne IX. As we found in our oxygen edge study, the theoretical predictions for neutral and low-ionization lines all require shifts of ~20 mA to match our data. Combined with our earlier oxygen edge study, we find that a best fit O/Ne ratio of 5.4+/-1.6, consistent with standard interstellar abundances. Our best fit Fe/Ne ratio of 0.20+/-0.03 is significantly lower than the interstellar value. We attribute this difference to iron depletion into dust grains in the interstellar medium. We make the first measurement of the neon ionization fraction in the ISM. We find Ne II/Ne I ~ 0.3 and Ne III/Ne I ~ 0.07. These values are larger than is expected given the measured ionization of interstellar helium. For Ne IX, our results confirm the detection of the hot ionized interstellar medium of the Galaxy., 15 pages, 12 figures, accepted for publication in the Astrophysical Journal (Vol. 648, September 10 issue)

Mistakes in an earlier publication (Zatsarinny et al. 2003) have been discovered and are corrected below (in boldface). The first is a missing exponent in an equation, the second is some wrong fitting coefficients for several ions, the third and fourth are an incorrect caption and an incorrect label in a figure, and the fifth is an inaccuracy in high-temperature radiative recombination rate coefficients.

Mistakes in an earlier publication (Zatsarinny et al. 2004) have been discovered and are corrected. First, in Table 1, some of the DR fitting coefficients are incorrect due to initially undetected human errors in the postprocessing of the atomic data. As a result, we have refitted our archived totals for the entire sequence using up to seven terms in the summation of Eq. (3). We have retabulated in Table 1 only results for those ions that showed significant differences, which occur at lower temperatures, from those of our initial fitting procedure. We emphasize that these few errors were not in the atomic physics calculations, which are accurate for the entire sequence i.e. the adf09 files are unchanged, but rather only in the fitting algorithm

Extensive calculations of the atomic data required for the spectral modelling of the K-shell photoabsorption of oxygen ions have been carried out in a multi-code approach. The present level energies and wavelengths for the highly ionized species (electron occupancies 2 4, lack of measurements, wide experimental scatter, and discrepancies among theoretical values are handicaps in reliable accuracy assessments. The radiative and Auger rates are expected to be accurate to 10% and 20%, respectively, except for transitions involving strongly mixed levels. Radiative and Auger dampings have been taken into account in the calculation of photoabsorption cross sections in the K-threshold region, leading to overlapping lorentzian shaped resonances of constant widths that cause edge smearing. The behavior of the improved opacities in this region has been studied with the XSTAR modelling code using simple constant density slab models, and is displayed for a range of ionization parameters., 33 pages, 8 figures, 9 tables

We have investigated the accuracy of the 1s-vacancy fluorescence data base of Kaastra & Mewe (1993, A&AS, 97, 443) resulting from the initial atomic physics calculations and the subsequent scaling along isoelectronic sequences. In particular, we have focused on the relatively simple Be-like and F-like 1s-vacancy sequences. We find that the earlier atomic physics calculations for the oscillator strengths and autoionization rates of singly-charged B II and Ne II are in sufficient agreement with our present calculations. However, the substantial charge dependence of these quantities along each isoelectronic sequence, the incorrect configuration averaging used for B II, and the neglect of spin-orbit effects (which become important at high-Z) all cast doubt on the reliability of the Kaastra & Mewe data for application to plasma modeling., 19 pages with 6 figures, AAS TeX, accepted for publication in ApJ

A programme is outlined for the assembly of a comprehensive dielectronic recombination database within the generalized collisional--radiative (GCR) framework. It is valid for modelling ions of elements in dynamic finite-density plasmas such as occur in transient astrophysical plasmas such as solar flares and in the divertors and high transport regions of magnetic fusion devices. The resolution and precision of the data are tuned to spectral analysis and so are sufficient for prediction of the dielectronic recombination contributions to individual spectral line emissivities. The fundamental data are structured according to the format prescriptions of the Atomic Data and Analysis Structure (ADAS) and the production of relevant GCR derived data for application is described and implemented following ADAS. The requirements on the dielectronic recombination database are reviewed and the new data are placed in context and evaluated with respect to older and more approximate treatments. Illustrative results validate the new high-resolution zero-density dielectronic recombination data in comparison with measurements made in heavy-ion storage rings utilizing an electron cooler. We also exemplify the role of the dielectronic data on GCR coefficient behaviour for some representative light and medium weight elements., 14 Pages, 9 Figures. Submitted to Astronomy & Astrophysics April 12, 2003

Dielectronic recombination (DR) and radiative recombination (RR) data for oxygen-like ions forming fluorine-like ions have been calculated as part of the assembly of a level-resolved DR and RR database necessary for modelling of dynamic finite-density plasmas (Badnell et al. 2003). Total DR and RR rate coecients for F + to Zn 22+ are presented and the results discussed. By comparison between perturbative and R-matrix results, we find that RR/DR interference eects are negligible even for the lowest-charged F + member. We also find that the 2 ! 2 low-temperature DR (no change in the principal quantum number of the core electrons) does not scale smoothly with nuclear charge Z due to resonances straddling the ionization limit, thereby making explicit calculations for each ion necessary. These RR and DR data are suitable for modelling of solar and cosmic plasmas under conditions of collisional ionization equilibrium, photoionization equilibrium, and non-equilibrium ionization.

An analytical formula is developed to accurately represent the photoabsorption cross section of O I for all energies of interest in X-ray spectral modeling. In the vicinity of the K edge, a Rydberg series expression is used to fit R-matrix results, including important orbital relaxation effects, that accurately predict the absorption oscillator strengths below threshold and merge consistently and continuously to the above-threshold cross section. Further, minor adjustments are made to the threshold energies in order to reliably align the atomic Rydberg resonances after consideration of both experimental and observed line positions. At energies far below or above the K-edge region, the formulation is based on both outer- and inner-shell direct photoionization, including significant shake-up and shake-off processes that result in photoionization-excitation and double-photoionization contributions to the total cross section. The ultimate purpose for developing a definitive model for oxygen absorption is to resolve standing discrepancies between the astronomically observed and laboratory-measured line positions, and between the inferred atomic and molecular oxygen abundances in the interstellar medium from XSTAR and SPEX spectral models.

Context. A comprehensive study of dielectronic recombination (DR) for the aluminum-like isoelectronic sequence has been completed. Aims. Total and final-state resolved DR rate coefficients for the ground and metastable initial levels of 17 ions between Si ii and Zn xviii are presented. Methods. Within an isolated-resonance, distorted-wave (IPIRDW) approximation, multiconfiguration Breit-Pauli (MCBP) calculations are carried out for the total and partial DR rate coefficients of Al-like ions. Both Δnc = 0 and Δnc = 1 core-excitations are included, using LS-coupled and intermediate-coupling (IC) schemes. Results. The inaccuracies of earlier empirical data and/or LS-coupling calculations, particularly at lower temperatures characteristic of photoionized plasmas, is demonstrated by comparison with present, state-of-the-art IC DR rate coefficients. Fine-structure effects are found to increase the DR rate coefficient at low temperatures and decrease it at high temperatures, rendering earlier LS calculations incomplete. Good agreement is found between present IC results and experimental measurements.