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Bautista, M. A.

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

26 records · Page 2
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NASA NTRS2003

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(sub 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 Kalpha 2/K alpha l ratio is found to be sensitive to the excitation mechanism. From these comparisons it has been possible to estimate an accuracy of approx.10% for the present transition probabilities.

Palmeri, P.↗
NASA NTRS2003

A Complete Set of Radiative and Auger Rates for K-vacancy States in Fe XVIII-Fe-XXV

A complete set of level energies, wavelengths, A-values, and total and partial Auger rates have been computed for transitions involving the K-vacancy states within the n = 2 complex of Fe XVIII-Fe XXV. Three different standard numerical packages are used for this purpose, namel y AUTOSTRUCTURE, the Breit-Pauli R-matrix suite (BPRM) and HFR, which allow reliable estimates of the physical effects involved and of the accuracy of the resulting data sets. The Breit interaction is taken i nto account because its contributions to the small A-values and partial Auger rates cannot be neglected with increasing electron occupancy. Semiempirical adjustments can also lead to large differences in both the radiative and Auger decay data of strongly mixed levels. Several experimental level energies and wavelengths are questioned, and significant discrepancies are found with previously computed decay rates th at are attributed to numerical problems. The statistical accuracy of the present level energies and wavelengths is ranked at +/-3 eV and +/ -2 mA, respectively, and that for A-values and partial Auger rates greater than lO(exp 13)/s at better than 20%.

Palmeri, P.↗
NASA NTRS2003

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.

Bautista, M. A.↗
NASA NTRS2002

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 the appearance at high ionization of a localized absorption feature at 7.2 keV is identified as the Kbeta unresolved transition array.

Palmeri, P.↗
NASA NTRS2002

Relativistic Radiative and Auger Rates for 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 radiative and Auger rates for transitions involving the K-vacancy states in Fe XXIV. By making use of several computational codes, a detailed study is carried out of orbital representation, configuration interaction, relativistic corrections, cancellation effects, and fine tuning. 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%.

Bautista, M. A.↗
NASA NTRS2002

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.

Bautista, M. A.↗
NASA NTRS2002

A Complete Set of Radiative and Auger Rates for K-vacancy States in Fe XVIII-Fe XXV

A complete set of level energies, wavelengths, A-values, and total and partial Auger rates have been computed for transitions involving the K-vacancy states within the n = 2 complex of Fe XVIII-Fe XXV. Three different standard numerical packages are used for this purpose, namely AUTOSTRUCTURE, the Breit-Pauli R-matrix suite (BPRM) and HFR, which allow reliable estimates of the physical effects involved and of the accuracy of the resulting data sets. It is found that the Breit interaction must be always taken into account as the contributions to the small A-values and partial Auger rates does not decrease with electron occupancy. Semi-empirical adjustments can also lead to large differences in both the radiative and Auger decay data of strongly mixed levels. Several experimental energy levels and wavelengths are questioned, and significant discrepancies are found with previously computed decay rates that are attributed to numerical problems. The statistical accuracy of the present level energies and wavelengths is ranked at plus or minus 3 eV and plus or minus 2 mAngstroms, respectively, whereas that for A-values and partial Auger rates greater than 10(exp 13) per second is estimated at better than 20%.

Palmeri, P.↗