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Sultana N. Nahar

Publications and source records attributed to Sultana N. Nahar.

At least 37 records · Page 2Linked to original sources
arXiv2004

Resolution and accuracy of resonances in R-matrix cross sections

We investigate the effect of resonances in photoionization and recombination cross sections computed using the R-matrix method. Photoionization and recombination rates derived from high-resolution cross sections for oxygen ions are compared with earlier works with less resolution and accuracy, such as in the widely used Opacity Project data. We find significant differences in photoionization rates for O II metastable states, averaged over Planck functions corresponding to ionizing radiation fields, with respect to the intrinsic accuracy of the calculations and improved resolution. Furthermore, for highly charged ions other physical effects are also important. Recombination rate coefficients, averaged over a Maxwellian distribution, are extremely sensitive to the position and resolution of near-threshold resonances, and radiation damping, in (e + O VII) --> O VI + hnu. Surprisingly however, the effect on the monochromatic and the mean Rosseland and Planck bound-free opacities is relatively small, but may be potentially significant.

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arXiv2004

Theoretical FeI/II/III Emission-Line Strengths from Active Galactic Nuclei with Broad-Line Regions

We present theoretical iron emission line strengths for physical conditions typical of Active Galactic Nuclei with Broad-Line Regions. The non-local thermodynamic equilibrium (NLTE) models include a new and extensive treatment of radiative transfer in the FeIII ion, complementing the FeII emission line strengths predicted in our earlier works. We also briefly present preliminary results for the FeI emission from AGN using a reduced atom model. We can satisfactorily reproduce the empirical UV FeIII emission line template of Vestergaard & Wilkes (2001) for the prototypical narrow-line Seyfert 1 galaxy I Zw 1, both in terms of the general FeIII flux distribution and the relative strength of the FeIII and FeII emission. However, a number of detailed features are still not matched; the most prominent example is the strongest single FeIII feature observed in the I Zw 1 spectrum, UV47: it is predicted to be strong only in models suppressing Fe-H charge exchange reactions. We examine the role of variations in cloud turbulent velocity and iron abundance and carry out Monte Carlo simulations to demonstrate the effect of uncertainties in atomic data on the computed spectra.

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arXiv2003

Photoionization cross sections of O II, O III, O IV, and O V: benchmarking R-matrix theory and experiments

For crucial tests between theory and experiment, ab initio close coupling calculations are carried out for photoionization of O II, O III, O IV, O V. The relativistic fine structure and resonance effects are studied using the R-matrix and its relativistic variant the Breit Pauli R-matrix (BPRM) approximation. Detailed comparison is made with high resolution experimental measurements carried out in three different set-ups: Advanced Light Source at Berkeley, and synchrotron radiation experiments at University of Aarhus and University of Paris-Sud. The comparisons illustrate physical effects in photoionization such as (i) fine structure, (ii) resolution, and (iii) metastable components. Photoionization cross sections sigma{PI} of the ground and a few low lying excited states of these ions obtained in the experimental spectrum include combined features of these states. Theoretically calculated resonances need to be resolved with extremely fine energy mesh for precise comparison. In addition, prominent resonant features are observed in the measured spectra from transitions allowed with relativistic fine structure, but not in LS coupling. The sigma_{PI} are obtained for ground and metastable (i) 2s^22p^3(^4S^o, ^2D^o, ^2P^o) states of O II, (ii) 2s^22p^2(^3P,^1D,^1S) and 2s2p^3(^5S^o) states of O III, (iii) 2s^22p(^2P^o_J) and 2s2p^2(^4P_J) levels of O IV, and (iv) 2s^2(^1S) and 2s2p(^3P^o,^1P^o) states of O V. It is found that resonances in ground and metastable cross sections can be a diagnostic of experimental beam composition, with potential ap plications to astrophysical and laboratory plasma environments.

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arXiv2003

Self-Consistent R-matrix Approach To Photoionization And Unified Electron-Ion Recombination

A unified scheme using the R-matrix method has been developed for electron-ion recombination subsuming heretofore separate treatments of radiative and dielectronic recombination (RR and DR). The ab initio coupled channel approach unifies resonant and non-resonant phenomena, and enables a general and self-consistent treatment of photoionization and electron-ion recombination employing idential wavefunction expansion. Detailed balance takes account of interference effects due to resonances in cross sections, calculated explicitly for a large number of recombined (e+ion) bound levels over extended energy regions. The theory of DR by Bell and Seaton is adapted for high-n resonances in the region below series limits. The R-matrix method is employed for (A) partial and total photoionization and photorecombination cross sections of (e+ion) bound levels, and (B) DR and (e+ion) scattering cross sections. Relativistic effects and fine structure are considered in the Breit-Pauli approximation. Effects such as radiation damping may be taken into account where necessary. Unfiied recombination cross sections are in excellent agreement with measurements on ion storage rings to about 10-20%. In addition to high accuracy, the strengths of the method are: (I) both total and level-specific cross sections and rate coefficients are obtained, and (II) a single (e+ion) recombination rate coefficient for any given atom or ion is obtained over the entire temperature range of practical importance in laboratory and astrophysical plasmas, (III) self-consistent results are obtained for photoionization and recombination; comprehensive datasets have been computed for over 50 atoms and ions. Selected data are presented for iron ions.

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arXiv2003

Electron-Ion Recombination Rate Coefficients and Photoionization Cross Sections for Astrophysically Abundant Elements. VII. Relativistic calculations for O VI and O VII for UV and X-ray modeling

Aimed at ionization balance and spectral analysis of UV and X-ray sources, we present self-consistent sets of photoionization cross sections, recombination cross sections, and rate coefficients for Li-like O VI and He-like O VII. Relativistic fine structure is considered through the Breit-Pauli R-matrix (BPRM) method in the close coupling approximation, implementing the unified treatment for total electron-ion recombination subsuming both radiative and di-electronic recombination processes. Self-consistency is ensured by using an identical wavefunction expansion for the inverse processes of photoionization and photo-recombination. Radiation damping of resonances, important for H-like and He-like core ions, is included. Compared to previous LS coupling results without radiative decay of low-n (<= 10) resonances, the presents results show significant reduction in O VI recombination rates at high temperatures. In addition to the total rates, level-specific photoionization cross sections and recombination rates are presented for all fine structure levels n (lSLJ) up to n <= 10, to enable accurate computation of recombination-cascade matrices and spectral formation of prominent UV and X-ray lines such as the 1032,1038 A doublet of O VI, and the `triplet' forbidden, intercombination, and resonance X-ray lines of O VII at 22.1, 21.8, and 21.6 \ang respectively. Altogether, atomic parameters for 98 levels of O VI and 116 fine structure levels of O VII are theoretically computed. These data should provide a reasonably complete set of photoionization and recombination rates in collisional or radiative equilibrium.

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arXiv2003

Atomic data from the Iron Project. LIII. Relativistic allowed and forbidden transition probabilities for Fe XVII

An extensive set of fine structure levels and corresponding transition probabilities for allowed and forbidden transitions in Fe XVII is presented. A total of 490 bound energy levels of Fe XVII of total angular momenta 0 <= J <= 7 of even and odd parities with 2 <= n <= 10, 0 <= l <= 8, 0 <= L <= 8, and singlet and triplet multiplicities, are obtained. They translate to over 2.6 x 10^4 allowed (E1) transitions that are of dipole and intercombination type, and about 3000 forbidden transitions that include electric quadrupole (E2), magnetic dipole (M1), electric octopole (E3), and magnetic quadrupole (M2) type representing the most detailed calculations to date for the ion. Oscillator strengths f, line strengths S, and coefficients A of spontaneous emission for the E1 type transitions are obtained in the relativistic Breit-Pauli R-matrix approximation. A valus for the forbidden transitions are obtained from atomic structure calculations using codes SUPERSTRUCTURE and GRASP. The energy levels are identified in spectroscopic notation with the help of a newly developed level identification algorithm. Nearly all 52 spectroscopically observed levels have been identified, their binding energies agreeing within 1% with our calculation. Computed transition probabilities are compared with other calculations and measurement. The effect of 2-body magnetic terms and other interactions is discussed. Present data set enhances by more than an order of magnitude the heretofore available data for the transition probabilities of Fe XVII.

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arXiv2003

X-ray absorption via K-alpha resonance complexes in oxygen ions

The K-alpha resonance complexes in oxygen ions O I - O VI are theoretically computed and resonance oscillator strengths and wavelengths are presented. The highly resolved photoionization cross sections, with relativistic fine structure, are computed in the coupled channel approximation using the Breit-Pauli R-matrix method. A number of strong K-alpha resonances are found to be appreciable, with resonance oscillator strengths f_r > 0.1. The K-alpha resonance wavelengths of O I-O VI lie in a relatively narrow wavelength range 22 - 23.5 A, and the X-ray opacity in this region should therefore be significantly affected by K --> L transitions in oxygen. The results should be useful in the interpretation of soft X-ray spectra observed from Chandra and XMM-Newton.

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arXiv2002

The Iron Project and Non-LTE stellar modeling

Latest developments in theoretical computations since the international Opacity Project (OP), under the new the Iron Project (IP) and extensions, are described for applications to a variety of objects such as stellar atmospheres, nebulae, and active galactic nuclei. The primary atomic processes are: electron impact excitation (EIE), photoionization, electron-ion recombination, and bound-bound transitions, all considered using the accurate and powerful R-matrix method including relativistic effects. As an extension of the OP and the IP, a self-consistent and unified theoretical treatment of photoionization and recombination has been developed. Both the radiative and the dielectronic recombination (RR and DR) processes are considered in a unified manner. Photoionization and recombination cross sections are computed with identical wavefunction expansions, thus ensuring self-consistency in an ab initio manner. The new unified results differ from the sum of previous results for RR and DR by up to a factor of 4 for the important but complex atomic systems such as Fe I - V. The fundamental differences are due to quantum mechanical intereference and coupling effects neglected in simpler approximations that unphysically treat RR and DR separately, which can not be independently measured or observed. I will also describe the electronic, web-interactive, database, TIPTOPBASE, to archive the OP/IP data in a readily accessible manner. TIPTOPBASE would also include electron-ion recombination data and new fine structure transition probabilities. Efficient codes developed by M.J. Seaton to calculate `customized' mixture opacities and radiative accelerations ('levitation') in stars will also be available.

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arXiv2002

Self-consistent ab initio calculations for photoionization and electron-ion recombination using the R-matrix method

Most astrophysical plasmas entail a balance between ionization and recombination. We present new results from the powerful R-matrix method which yields in an ab initio manner: (I) self-consistent photoionization and recombination cross sections using identical wavefunction expansions, (II) unified e-ion recombination rates at all temperatures of interest, incorporating non-resonant and resonant processes, radiative and dielectronic recombination (RR and DR), and (III) level-specific recombination rates for many excited atomic levels. RR and DR processes can not be measured or observed independently. In contrast to the shortcomings of simple (but computationally easy) approximations that unphysically treat RR and DR separately with different methods, emphasizing marginal effects for selected ions over small energy ranges, the R-matrix method naturally and compeletely accounts for e-ion recombination for all atomic systems. Photoionization and recombination cross sections are compared with state-of-the-art experiments on synchrotron radiation sources and ion storage rings. Overall agreement between theory and experiments is within 10-20 %. For photoionization the comparison includes not only the ground state but also the metastable states, with highly resolved resonance structures. The recent experiments therefore support the estimated accuracy of the vast amount of photoionization data computed under the Opacity Project (OP), the Iron Project (IP), and related works using the R-matrix method.

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arXiv2002

Relativistic fine structure oscillator strengths for Li-like ions: C IV - Si XII, S XIV, Ar XVI, Ca XVIII, Ti XX, Cr XXII, and Ni XXVI

Ab initio calculations including relativistic effects employing the Breit-Pauli R-matrix (BPRM) method are reported for fine structure energy levels and oscillator strengths upto n = 10 and 0.leq. l .leq.9 for 15 Li-like ions: C IV, N V, O VI, F VII, Ne VIII, Na IX, Mg X, Al XI, Si XII, S XIV, Ar XVI, Ca XIII, Ti XX, Cr XXII, and Ni XXVI. About one hundred bound fine structure energy levels of total angular momenta, 1/2 .leq. J .leq. 17/2 of even and odd parities, total orbital angular momentum, 0 .leq L .leq. 9 and spin multiplicity (2S+1) = 2, 4 are considered for each ion. The levels provide almost 900 dipole allowed and intercombination bound-bound transitions. The BPRM method enables consideration of large set of transitions with uniform accuracy compared to the best available theoretical methods. The CC eigenfunction expansion for each ion includes the lowest 17 fine structure energy levels of the core configurations 1s^2, 1s2s, 1s2p, 1s3s, 1s3p, and 1s3d. The calculated energies of the ions agree with the measured values to within 1% for most levels. The transition probabilities show good agreement with the best available calculated values. The results provide the largest sets of energy levels and transition rates for the ions and are expected to be useful in the analysis of X-ray and EUV spectra from astrophysical sources.

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arXiv2002

X-Ray Resonance Opacity of Oxygen and Iron in AGN MCG--6-30-15

Theoretical differential oscillator strengths related to monochromatic opacity due to K- and L-shell absorption from oxygen and iron ions are directly compared with the Chandra and Xmm-Newton spectra of Seyfert~1 galaxy MCG--6-30-15. We compute the highly resolved continuum with resonances due to O I - VI and Fe XVI. It is found that the KLn (n --> infty) resonance series limits in O VI, and the lowest LMM resonance in Fe XVI, lie at the prominent 17.5 A break in the observed spectra. We also calculate and identify, for the first time, the observed gap in spectral flux at 22-23 A in the Chandra spectra due to K --> L resonant absorption features from all O-ions O I - VI, potentially leading to abundance determination of several or all ionization stages; similar signature gaps may be predicted due to other elements. The precise atomic parameters are computed in the relativistic close coupling approximation using the Breit-Pauli R-matrix method. The new X-ray opacities might possibly distinguish between models of a dusty warm absorber, and/or gravitational redshift and broadening due to a massive black hole in MCG--6-30-15.

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arXiv2002

Atomic Processes in Planetary Nebulae

A hot central star illuminating the surrounding ionized H II region usually produces very rich atomic spectra resulting from basic atomic processes: photoionization, electron-ion recombination, bound-bound radiative transitions, and collisional excitation of ions. Precise diagnostics of nebular spectra depend on accurate atomic parameters for these processes. Latest developments in theoretical computations are described, especially under two international collaborations known as the Opacity Project (OP) and the Iron Project (IP), that have yielded accurate and large-scale data for photoionization cross sections, transition probabilities, and collision strengths for electron impact excitation of most astrophysically abundant ions. As an extension of the two projects, a self-consistent and unified theoretical treatment of photoionization and electron-ion recombination has been developed where both the radiative and the dielectronic recombination processes are considered in an unified manner. Results from the Ohio State atomic-astrophysics group, and from the OP and IP collaborations, are presented. A description of the electronic web-interactive database, TIPTOPBASE, with the OP and the IP data, and a compilation of recommended data for effective collision strengths, is given.

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arXiv2001

Relativistic fine structure and resonance effects in electron-ion recombination and excitation of (e + C IV)

Relativistic close coupling calculations are reported for unified electronic recombination of (e + C IV) including non-resonant and resonant recombination processes, radiative and dielectronic recombination (RR and DR). Detailed comparison of the theoretical unified results with two recent experiments on ion storage rings (Mannervik etal. [1] and Schippers etal. [2]) shows very good agreement in the entire measured energy region 2s -- 2p with 2pnl resonances. The results benchmark theory and experiments to uncertainties of ~15%, and show that the resonant and the background cross sections are not an incoherent sum of separate RR and DR contributions. The limiting values of the DR cross sections, as n ---> infinity, are shown to correspond to those due to electron impact excitation (EIE) at the 2Po_(1/2,3/2) fine structure thresholds, delineated for the first time. The near-threshold 2s 2S_(1/2) - 2p 2Po_(1/2,3/2) EIE cross sections are also compared with recent experimental measurements. The demonstrated threshold fine structure and resonance effects should be of general importance in excitation and recombination of positive ions.

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arXiv2001

Relativistic photoionization cross sections for C II

High resolution measurements of photoionization cross sections for atomic ions are now being made on synchrotron radiation sources. The recent measurements by Kjeldsen etal. (1999) showed good agreement between the observed resonance features and the the theoretical calculations in the close coupling approximation (Nahar 1995). However, there were several observed resonances that were missing in the theoretical predictions. The earlier theoretical calculation was carried out in LS coupling where the relativistic effects were not included. Present work reports photoionization cross sections including the relativistic effects in Breit-Pauli R-matrix (BPRM) approximation. The configuration interaction eigenfunction expansion for the core ion C III consists of 20 fine structure levels dominated by the configurations from 1s^22s^2 to 1s^22s3d. Detailed features in the calculated cross sections exhibit the missing resonances due to fine structure. The results benchmark the accuracy of BPRM photoionization cross sections as needed for recent and ongoing experiments.

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arXiv2001

K-shell dielectronic resonances in photoabsorption: differential oscillator strengths for Li-like C IV, O VI, and Fe XXIV

Recently X-ray photoabsorption in KLL resonances of O VI was predicted [Pradhan, Astrophys.J. Lett. 545, L165 (2000)], and detected by the Chandra X-ray Observatory [Lee et al, Astrophys. J. {\it Lett.}, submitted]. The required resonance oscillator strengths f_r, are evaluated in terms of the differential oscillator strength df/de that relates bound and continuum absorption. We present the f_r values from radiatively damped and undamped photoionization cross sections for Li-like C,O, and Fe calculated using relativistic close coupling Breit-Pauli R-matrix method. The KLL resonances of interest here are: 1s2p (^3P^o) 2s [^4P^o_{1/2,3/2}, ^2P^o_{1/2,3/2}] and 1s2p (^1P^o) 2s [^2P^o_{1/2,3/2}]. The KLL photoabsorption resonances in Fe XXIV are fully resolved up to natural autoionization profiles for the first time. It is demonstrated that the undamped f_r independently yield the resonance radiative decay rates, and thereby provide a precise check on the resolution of photoionization calculations in general. The predicted photoabsorption features should be detectable by the X-ray space observatories and enable column densities in highly ionized astrophysical plasmas to be determined from the calculated f_r. The dielectronic satellites may appear as redward broadening of resonances lines in emission and absorption.

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arXiv2001

Relativistic close coupling calculations for photoionization and recombination of Ne-like Fe XVII

Relativistic and channel coupling effects in photoionization and unified electronic recombination of Fe XVII are demonstrated with an extensive 60-level close coupling calculation using the Breit-Pauli R-matrix method. Photoionization and (e + ion) recombination calculations are carried out for the total and the level-specific cross sections, including the ground and several hundred excited bound levels of Fe XVII (up to fine structure levels with n = 10). The unified (e + ion) recombination calculations for (e + Fe XVIII --> Fe XVII) include both the non-resonant and resonant recombination (`radiative' and `dielectronic recombination' -- RR and DR). The low-energy and the high energy cross sections are compared from: (i) a 3-level calculation with 2s^2p^5 (^2P^o_{1/2,3/2}) and 2s2p^6 (^2S_{1/2}), and (ii) the first 60-level calculation with Δn > 0 coupled channels with spectroscopic 2s^2p^5, 2s2p^6, 2s^22p^4 3s, 3p, 3d, configurations, and a number of correlation configurations. Strong channel coupling effects are demonstrated throughout the energy ranges considered, in particular via giant photoexcitation-of-core (PEC) resonances due to L-M shell dipole transition arrays 2p^5 --> 2p^4 3s, 3d in Fe XIII that enhance effective cross sections by orders of magnitude. Comparison is made with previous theoretical and experimental works on photoionization and recombination that considered the relatively small low-energy region (i), and the weaker Δn = 0 couplings. While the 3-level results are inadequate, the present 60-level results should provide reasonably complete and accurate datasets for both photoionization and (e + ion) recombination of Fe~XVII in laboratory and astrophysical plasmas.

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arXiv2001

Electron-Ion Recombination Rate Coefficients and Photoionization Cross Sections for Astrophysically Abundant Elements VI. Ni II

We present the first detailed ab initio quantum mechanical calculations for total and state-specific recombination rate coefficients for e + Ni III --> Ni II. These rates are obtained using a unified treatment for total electron-ion recombination that treats the nonresonant radiative recombination and the resonant dielectronic recombination in a self-consistent unified manner in the close coupling approximation. Large-scale calculations are carried out using a 49-state wavefunction expansion from core configurations 3d^8, 3d^74s, and 3d^64p that permits the inclusion of prominent dipole allowed core transitions. These extensive calculations for the recombination rates of Ni II required hundreds of CPU hours on the Cray T90. The total recombination rate coefficients are provided for a wide range of temperature. The state-specific recombination rates for 532 bound states of doublet and quartet symmetries, and the corresponding photoionization cross sections for leaving the core in the ground state, are presented. Present total recombination rate coefficients differ considerably from the currently used data in astrophysical models.

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arXiv2000

Electron-Ion Recombination Rate Coefficients and Photoionization Cross Sections for Astrophysically Abundant Elements. V. Relativistic calculations for Fe XXIV and Fe XXV for X-ray modeling

Photoionization and recombination cross sections and rate coefficients are calculated for Li-like Fe XXIV and He-like Fe XXV using the Breit-Pauli R-matrix (BPRM) method. A complete set of total and level-specific parameters is obtained to enable X-ray photoionization and spectral modeling. The ab initio calculations for the unified (e + ion) recombination rate coefficients include both the non-resonant and the resonant recombination (radiative and di-electronic recombination, RR and DR, respectively) for (e + Fe XXV) -> Fe XXIV and (e + Fe XXVI) -> Fe XXV. The level specific rates are computed for all fine structure levels up to n = 10, enabling accurate computation of recombination-cascade matrices and effective rates for the X-ray lines. The total recombination rate coefficients for both Fe XXIV and Fe XXV differ considerably, by several factors, from the sum of RR and DR rates currently used to compute ionization fractions in astrophysical models. As the photoionization/recombination calculations are carried out using an identical eigenfunction expansion, the cross sections for both processes are theoretically self-consistent; the overall uncertainty is estimated to be about 10-20%. All data for Fe XXIV and Fe XXV (and also for H-like Fe XXVI, included for completeness) are available electronically.

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