arXiv subjects

M. A. Bautista

Publications and source records attributed to M. A. Bautista.

35 records · Page 2Linked to original sources

arXiv2009

Radiative transition rates and collision strengths for Si II

Aims. This work reports radiative transition rates and electron impact excitation collision strengths for levels of the 3s23p, 3s3p2, 3s24s, and 3s23d configurations of Siii. Methods. The radiative data were computed using the Thomas-Fermi-Dirac-Amaldi central potential, but with the modifications introduced by Bautista (2008) that account for the effects of electron-electron interactions. We also introduce new schemes for the optimization of the variational parameters of the potential. Additional calculations were carried out with the Relativistic Hartree-Fock and the multiconfiguration Dirac-Fock methods. Collision strengths in LS-coupling were calculated in the close coupling approximation with the R-matrix method. Then, fine structure collision strengths were obtained by means of the intermediate-coupling frame transformation (ICFT) method which accounts for spin-orbit coupling effects. Results. We present extensive comparisons between the results of different approximations and with the most recent calculations and experiment available in the literature. From these comparisons we derive a recommended set of gf- values and radiative transition rates with their corresponding estimated uncertainties. We also study the effects of different approximations in the representation of the target ion on the electron-impact collision strengths. Our most accurate set of collision strengths were integrated over a Maxwellian distribution of electron energies and the resulting effective collision strengths are given for a wide range of temperatures. Our results present significant differences from recent calculations with the B-spline non-orthogonal R-matrix method. We discuss the sources of the differences.

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arXiv2009

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 which 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 damping, 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 {\sc xstar} modeling code.

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arXiv2009

Spectrum Synthesis Modeling of the X-ray Spectrum of GRO J1655-40 Taken During the 2005 Outburst

The spectrum from the black hole X-ray transient GRO J1655-40. obtained using the $Chandra$ High Energy Transmission Grating (HETG) in 2005 is notable as a laboratory for the study of warm absorbers, and for the presence of many lines from odd-$Z$ elements between Na and Co (and Ti and Cr) not previously observed in X-rays. We present synthetic spectral models which can be used to constrain these element abundances and other parameters describing the outflow from the warm absorber in this object. We present results of fitting to the spectrum using various tools and techniques, including automated line fitting, phenomenological models, and photoionization modeling. We show that the behavior of the curves of growth of lines from H-like and Li-like ions indicate that the lines are either saturated or affected by filling-in from scattered or a partially covered continuum source. We confirm the conclusion of previous work by \cite{Mill06} and \cite{Mill08} which shows that the ionization conditions are not consistent with wind driving due to thermal expansion. The spectrum provides the opportunity to measure abundances for several elements not typically observable in the X-ray band. These show a pattern of enhancement for iron peak elements, and solar or sub-solar values for elements lighter than calcium. Models show that this is consistent with enrichment by a core-collapse supernova. We discuss the implications these values for the evolutionary history of this system.

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arXiv2008

Radiative and Auger decay data for modelling nickel K lines

Radiative and Auger decay data have been calculated for modelling the K lines in ions of the nickel isonuclear sequence, from Ni$^+$ up to Ni$^{27+}$. Level energies, transition wavelengths, radiative transition probabilities, and radiative and Auger widths have been determined using Cowan's Hartree--Fock with Relativistic corrections (HFR) method. Auger widths for the third-row ions (Ni$^+$--Ni$^{10+}$) 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.

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arXiv2008

K-vacancy levels in Ne, Mg, Si, S, Ar, and Ca

The HFR and AUTOSTRUCTURE atomic structure codes are used to compute complete data sets of level energies, wavelengths, A-values, and radiative and Auger widths for K-vacancy states of the Ne, Mg, Si, S, Ar, and Ca isonuclear sequences. Ions with electron number N>9 are treated for the first time. Detailed comparisons with previous measurements and theoretical data for ions with N<=9 are carried out in order to estimate reliable accuracy ratings.

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arXiv2007

Atomic data from the Iron Project. LXIV. Radiative transition rates and collision strengths for Ca II

This work reports radiative transition rates and electron impact excitation rate coefficients for levels of the n= 3, 4, 5, 6, 7, 8 configurations of Ca II. The radiative data were computed using the Thomas-Fermi-Dirac central potential method in the frozen core approximation and includes the polarization interaction between the valence electron and the core using a model potential. This method allows for configuration interactions (CI) and relativistic effects in the Breit-Pauli formalism. Collision strengths in LS-coupling were calculated in the close coupling approximation with the R-matrix method. Then, fine structure collision strengths were obtained by means of the intermediate-coupling frame transformation (ICFT) method which accounts for spin-orbit coupling effects. We present extensive comparisons with the most recent calculations and measurements for Ca II as well as a comparison between the core polarization results and the "unpolarized" values. We find that core polarization affects the computed lifetimes by up to 20%. Our results are in very close agreement with recent measurements for the lifetimes of metastable levels. The present collision strengths were integrated over a Maxwellian distribution of electron energies and the resulting effective collision strengths are given for a wide range of temperatures. Our effective collision strengths for the resonance transitions are within ~11% from previous values derived from experimental measurements, but disagree with latter computations using the distorted wave approximation.

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arXiv2006

[TiII] and [NiII] emission from the strontium filament of eta Carinae

We study the nature of the [TiII] and [NiII] emission from the so-called strontium filament found in the ejecta of eta Carinae. To this purpose we employ multilevel models of the TiII and NiII systems which are used to investigate the physical condition of the filament and the excitation mechanisms of the observed lines. For the TiII ion, for which no atomic data was previously available, we carry out ab initio calculations of radiative transition rates and electron impact excitation rate coefficients. It is found that the observed spectrum is consistent with the lines being excited in a mostly neutral region with an electron density of the order of $10^7$ cm$^{-3}$ and a temperature around 6000 K. In analyzing three observations with different slit orientations recorded between March~2000 and November~2001 we find line ratios that change among various observations, in a way consistent with changes of up to an order of magnitude in the strength of the continuum radiation field. These changes result from different samplings of the extended filament, due to the different slit orientations used for each observation, and yield clues on the spatial extent and optical depth of the filament. The observed emission indicates a large Ti/Ni abundance ratio relative to solar abundances. It is suggested that the observed high Ti/Ni ratio in gas is caused by dust-gas fractionation processes and does not reflect the absolute Ti/Ni ratio in the ejecta of \etacar. We study the condensation chemistry of Ti, Ni and Fe within the filament and suggest that the observed gas phase overabundance of Ti

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arXiv2005

K-shell Photoabsorption of Oxygen Ions

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 <= N <= 4) are accurate to within 0.5 eV and 0.02 A, respectively. For N > 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.

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arXiv2004

Up-dated opacities from the Opacity Project

Using the code AUTOSTRUCTURE, extensive calculations of inner-shell atomic data have been made for the chemical elements He, C, N, O, Ne, Na, Mg, Al, Si, S, Ar, Ca, Cr, Mn, Fe and Ni. The results are used to obtain up-dated opacities from the Opacity Project, OP. A number of other improvements on earlier work have also been included. Rosseland-mean opacities from OP are compared with those from OPAL. Differences of 5 to 10% occur. OP gives the `Z-bump', at log(T)=5.2, to be shifted to slightly higher temperatures. The opacities from OP, as functions of temperature and density, are smoother than those from OPAL. Extensive tests show that the numerical accuracy of the OP opacities following integration over frequency mesh and interpolation on temperature-density mesh is better than 1%. Prior to a number of recent investigations which have indicated a need for a downward revision in the solar abundances of oxygen and other elements, there was good agreement between properties of the sun deduced from helioseismology and from stellar evolution models calculated using OPAL opacities. The revisions in abundances destroy that agreement. In a recent paper Bahcall et al argue that the agreement would be restored if opacities for the regions of the sun between 0.7 and 0.4 solar radii were larger than those given by OPAL by about 10%. In the region concerned, the present results from OP do not differ from those of OPAL by more than 2.5%.

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arXiv2004

Photoionization Modeling and the K Lines of Iron

We calculate the efficiency of iron K line emission and iron K absorption in photoionized models using a new set of atomic data. These data are more comprehensive than those previously applied to the modeling of iron K lines from photoionized gases, and allow us to systematically examine the behavior of the properties of line emission and absorption as a function of the ionization parameter, density and column density of model constant density clouds. We show that, for example, the net fluorescence yield for the highly charged ions is sensitive to the level population distribution produced by photoionization, and these yields are generally smaller than those predicted assuming the population is according to statistical weight. We demonstrate that the effects of the many strongly damped resonances below the K ionization thresholds conspire to smear the edge, thereby potentially affecting the astrophysical interpretation of absorption features in the 7-9 keV energy band. We show that the centroid of the ensemble of K$α$ lines, the K$β$ energy, and the ratio of the K$α_1$ to K$α_2$ components are all diagnostics of the ionization parameter of our model slabs

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arXiv2003

Modeling of iron K lines: radiative and Auger decay data for Fe II-Fe IX

A detailed analysis of the radiative and Auger de-excitation channels of K-shell vacancy states in Fe II-Fe IX has been carried out. Level energies, wavelengths, A-values, Auger rates and fluorescence yields have been calculated for the lowest fine-structure levels populated by photoionization of the ground state of the parent ion. Different branching ratios, namely K-alpha_2/K-alpha_1, K-beta/K-alpha, KLM/KLL, KMM/KLL, and the total K-shell fluorescence yields, omega_K, obtained in the present work have been compared with other theoretical data and solid-state measurements, finding good general agreement with the latter. The K-alpha_2/K-alpha_1 ratio is found to be sensitive to the excitation mechanism. From these comparisons it has been possible to estimate an accuracy of ~10% for the present transition probabilities.

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arXiv2003

Decay Properties of K-Vacancy States in Fe X-Fe XVII

We report extensive calculations of the decay properties of fine-structure K-vacancy levels in Fe X-Fe XVII. A large set of level energies, wavelengths, radiative and Auger rates, and fluorescence yields has been computed using three different standard atomic codes, namely Cowan's HFR, AUTOSTRUCTURE and the Breit-Pauli R-matrix package. This multi-code approach is used to the study the effects of core relaxation, configuration interaction and the Breit interaction, and enables the estimate of statistical accuracy ratings. The K-alpha and KLL Auger widths have been found to be nearly independent of both the outer-electron configuration and electron occupancy keeping a constant ratio of 1.53+/-0.06. By comparing with previous theoretical and measured wavelengths, the accuracy of the present set is determined to be within 2 mA. Also, the good agreement found between the different radiative and Auger data sets that have been computed allow us to propose with confidence an accuracy rating of 20% for the line fluorescence yields greater than 0.01. Emission and absorption spectral features are predicted finding good correlation with measurements in both laboratory and astrophysical plasmas.

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arXiv2003

Dielectronic recombination data for dynamic finite-density plasmas I. Goals and methodology

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.

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arXiv2002

Atomic data for the K-vacancy states of Fe XXIV

As part of a project to compute improved atomic data for the spectral modeling of iron K lines, we report extensive calculations and comparisons of atomic data for K-vacancy states in Fe XXIV. The data sets include: (i) energy levels, line wavelengths, radiative and Auger rates; (ii) inner-shell electron impact excitation rates and (iii) fine structure inner-shell photoionization cross sections. The calculations of energy levels and radiative and Auger rates have involved a detailed study of orbital representations, core relaxation, configuration interaction, relativistic corrections, cancellation effects and semi-empirical corrections. It is shown that a formal treatment of the Breit interaction is essential to render the important magnetic correlations that take part in the decay pathways of this ion. As a result, the accuracy of the present A-values is firmly ranked at better than 10% while that of the Auger rates at only 15%. The calculations of collisional excitation and photoionization cross sections take into account the effects of radiation and spectator Auger dampings. In the former, these effects cause significant attenuation of resonances leading to a good agreement with a simpler method where resonances are excluded. In the latter, resonances converging to the K threshold display symmetric profiles of constant width that causes edge smearing.

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arXiv2002

On the Structure of the Iron K-Edge

It is shown that the commonly held view of a sharp Fe K edge must be modified if the decay pathways of the series of resonances converging to the K thresholds are adequately taken into account. These resonances display damped Lorentzian profiles of nearly constant widths that are smeared to impose continuity across the threshold. By modeling the effects of K damping on opacities, it is found that the broadening of the K edge grows with the ionization level of the plasma and that the appearance at high ionization of a localized absorption feature at 7.2 keV is identified as the K-beta unresolved transition array.

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arXiv2000

Recombination spectra of Helium-Like Ions

We calculate the recombination spectra of the He-like ions He~I, C~V, N~VI, O~VII, Ne~IX, Mg~XI, Si~XIII, S~XV, Ar~XVII, Ca~XIX, and Fe~XXV. We include the following physical processes: radiative recombination, dielectronic recombination, three-body recombination, electron impact ionization, and collisional excitation by electrons, protons, and $α$-particles. The calculations account for the effects of lowering of the continuum at high densities and high density corrections to dielectronic recombination. Then we construct models for He-like ions for fast computation of their spectra. Every model includes 29 bound levels up to n=5 and 6 doubly excited levels that account for the most important satellite lines. The models are constructed in a way that allows for proper approach to LTE under appropriate conditions. These models can simultaneously solve for the H/He-like ionization balance in photoionized or collisionally ionized plasmas and compute emission spectra including the combined effects of radiative and dielectronic recombination, collisional excitation, photoionization from excited levels, fluorescence, and line trapping. The models can be used for any temperature between 100 and $10^9$K and electron densities of up to $10^{18}$ \cm3. The models can be easily used within spectral modeling codes or as stand-alone tools for spectral analysis. We present comparisons between the results of the present models and previous work. Significant differences are found between the present effective recombination rate coefficients to the $n=2$ and those of previous estimates. Later, we study various emission line ratio diagnostics under collisional ionization and photoionized conditions.

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arXiv1997

Resonance Averaged Photoionization Cross Sections for Astrophysical Models

We present ground state photoionization cross sections of atoms and ions averaged over resonance structures for photoionization modeling of astrophysical sources. The detailed cross sections calculated in the close-coupling approximation using the R-matrix method, with resonances delineated at thousands of energies, are taken from the Opacity Project database TOPbase and the Iron Project, including new data for the low ionization stages of iron Fe I--V. The resonance-averaged cross sections are obtained by convolving the detailed cross sections with a Gaussian distribution over the autoionizing resonances. This procedure is expected to minimize errors in the derived ionization rates that could result from small uncertainties in computed positions of resonances, while preserving the overall resonant contribution to the cross sections in the important near threshold regions. The detailed photoionization cross sections at low photon energies are complemented by new relativistic distorted-wave calculations for Z<= 12, and from central-field calculations for Z>12 at high energies, including inner-shell ionization. The effective cross sections are then represented by a small number of points that can be readily interpolated linearly for practical applications; a Fortran subroutine and data are available. The present numerically averaged cross sections are compared with analytic fits that do not accurately represent the effective cross sections in regions dominated by resonances.

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