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Anil K. Pradhan

Publications and source records attributed to Anil K. Pradhan.

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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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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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Unified Electronic Recombination Of Ne-like Fe XVII: Implications for Modeling X-Ray Plasmas

Unified recombination cross sections and rates are computed for (e + Fe XVIII) --> Fe XVII including non-resonant and resonant (radiative and di-electronic recombination, RR and DR) processes in an ab initio manner with relativistic fine structure. The highly resolved theoretical cross sections exhibit considerably more resonance structures than observed in the heavy-ion storage ring measurements at Heidelberg, Germany. Nonetheless, the detailed resonance complexes agree well with experiment, and the unfiied rates agree with the sum of experimentally derived DR and theoretical RR rates to ~ 20%, within experimental or theoretical uncertainties. Theoretical results may provide estimates of field ionization of rydberg levels close to the DR peak, and non-resonant background contirbutions, particularly close to the RR peak as E --> 0. More generally, the unified results avoid the physical and practical problems in astrophysical models inherent in the separation of electronic recombination into RR and DR on the one hand, and further subdivision into low-energy Delta n = 0 DR and high-energy Delta n > 0 DR in photoionized and collisionally ionized X-ray plasmas.

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X-Ray Photoabsorption in KLL Resonances of O VI And Abundance Analysis

It is shown that photoabsorption via autoionizing resonances may be appreciable and used for abundance analysis. Analogous to spectral lines, the `resonance oscillator strength' f_r may be defined and evaluated in terms of the differential oscillator strength df/d(epsilon) that relates bound and continuum absorption. X-ray photoabsorption in KLL (1s2s2p) resonances of O VI is investigated using highly resolved relativistic photoionization cross sections with fine structure. It is found that f_r is comparable to that for UV dipole transition in O VI (2s - 2p) and the X-ray (1s^2 ^1S_0 - 1s2p ^1P^o_1) transition in O VII. The dominant O VI(KLL) components lie at 22.05 and 21.87 Angstroms. These predicted absorption features should be detectable by the Chandra X-Ray Observatory (CXO) and the X-Ray Multi-Mirror Mission (XMM). The combined UV/X-ray spectra of O VI/O VII should yield valuable information on the ionization structure and abundances in sources such as the `warm absorber' region of active galactic nuclei and the hot intergalactic medium. Some general implications of resonant photoabsorption are addressed.

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Electron-Ion Recombination Rate Coefficients and Photoionization Cross Sections for Astrophysically Abundant Elements IV. Relativistic calculations for C IV and C V for UV and X-ray modeling

The first complete set of unified cross sections and rate coefficients are calculated for photoionization and recombination of He- and Li-like ions using the relativistic Breit-Pauli R-matrix method. We present total, unified (e + ion) recombination rate coefficients for (e + C VI ---> C V) and (e + C V \longrightarrow C IV) including fine structure. Level-specific recombination rate coefficients up to the n = 10 levels are also obtained for the first time; these differ considerably from the approximate rates currently available. Applications to recombination-cascade coefficients in X-ray spectral models of K-alpha emission from the important He-like ions is pointed out. The overall uncertainty in the total recombination rates should not exceed 10-20%. Ionization fractions for Carbon are recomputed in the coronal approximation using the new rates. The present (e + ion) recombination rate coefficients are compared with several sets of available data, including previous LS coupling results, and `experimentally derived' rate coefficients. The role of relativistic fine structure, resolution of resonances, radiation damping, and interference effects is discussed. Two general features of recombination rates are noted: (i) the non-resonant (radiative recombination) peak as E,T ---> 0, and the (ii) the high-T resonant (di-electronic recombination) peak.

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Atomic data from the Iron Project.XLIV. Transition probabilities and line ratios for Fe VI with fluorescent excitation in planetary nebulae

Relativistic atomic structure calculations for electric dipole E1, electric quadrupole E2 and magnetic dipole M1 transition probabilities among the first 80 fine-structure levels of Fe VI, dominated by configurations 3d^3, 3d^24s, and 3d^24p, are carried out using the Breit-Pauli version of the code Superstructure. Experimental energies are used to improve the accuracy of these transition probabilities. Employing the 80-level collision-radiative (CR) model with these dipole and forbidden transition probabilities, and Iron Project R-matrix collisional data, we present a number of [Fe VI] line ratios applicable to spectral diagnostics of photoionized H II regions. It is shown that continuum fluorescent excitation needs to be considered in CR models in order to interpret the observed line ratios of optical [Fe VI] lines in planetary nebulae NGC 6741, IC 351, and NGC 7662. The analysis leads to parametrization of line ratios as function of, and as constraints on, the electron density and temperature, as well as the effective radiation temperature of the central source and a geometrical dilution factor. The spectral diagnostics may also help ascertain observational uncertainties. The method may be generally applicable to other objects with intensive background radiation fields, such as novae and active galactic nuclei. The extensive new Iron Project radiative and collisional calculations enable a consistent analysis of many line ratios for the complex iron ions.

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The Iron Project

Recent advances in theoretical atomic physics have enabled large-scale calculation of atomic parameters for a variety of atomic processes with high degree of precision. The development and application of these methods is the aim of the Iron Project. At present the primary focus is on collisional processes for all ions of iron, Fe I- FeXXVI, and other iron-peak elements; new work on radiative processes has also been initiated. Varied applications of the Iron Project work to X-ray astronomy are discussed, and more general applications to other spectral ranges are pointed out. The IP work forms the basis for more specialized projects such as the RMaX Project, and the work on photoionization/recombination, and aims to provide a comprehensive and self-consistent set of accurate collsional and radiative cross sections, and transition probabilities, within the framework of relativistic close coupling formulation using the Breit-Pauli R-Matrix method. An illustrative example is presented of how the IP data may be utilised in the formation of X-ray spectra of the K$α$ complex at 6.7 keV from He-like Fe XXV.

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Atomic data from the Iron Project.XLIII. Transition probabilities for Fe V

An extensive set of dipole-allowed, intercombination, and forbidden transition probabilities for Fe V is presented. The Breit-Pauli R-matrix (BPRM) method is used to calculate 1.46 x 10^6 oscillator strengths for the allowed and intercombination E1 transitions among 3,865 fine-structure levels dominated by configuration complexes with n <= 10 and l <= 9. These data are complemented by an atomic structure configuration interaction (CI) calculation using the SUPERSTRUCTURE program for 362 relativistic quadrupole (E2) and magnetic dipole (M1) transitions among 65 low-lying levels dominated by the 3d^4 and 3d^ 4s configurations. Procedures have been developed for the identification of the large number of fine-structure levels and transitions obtained through the BPRM calculations. The target ion Fe VI is represented by an eigenfunction expansion of 19 fine-structure levels of 3d^3 and a set of correlation configurations. Fe V bound levels are obtained with angular and spin symmetries SLπand Jπof the (e + Fe VI) system such that 2S+1 = 5,3,1, L <= 10, J <= 8 of even and odd parities. The completeness of the calculated dataset is verified in terms of all possible bound levels belonging to relevant LS terms and transitions in correspondence with the LS terms. The fine-structure averaged relativistic values are compared with previous Opacity Project LS coupling data and other works. The 362 forbidden transition probabilities considerably extend the available data for the E2 and M1 transtions, and are in good agreement with those computed by Garstang for the 3d^4 transitions.

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Large-scale Breit-Pauli R-matrix calculations for transition probabilities of Fe V

Ab initio theoretical calculations are reported for the electric (E1) dipole allowed and intercombination fine structure transitions in Fe V using the Breit-Pauli R-matrix (BPRM) method. We obtain 3865 bound fine structure levels of Fe V and $1.46 x 10^6$ oscillator strengths, Einstein A-coefficients and line strengths. In addition to the relativistic effects, the intermediate coupling calculations include extensive electron correlation effects that represent the complex configuration interaction (CI). Fe V bound levels are obtained with angular and spin symmetries $SLπ$ and $Jπ$ of the (e + Fe VI) system such that $2S+1$ = 5,3,1, $L \leq$ 10, $J \leq 8$. The bound levels are obtained as solutions of the Breit-Pauli (e + ion) Hamiltonian for each $Jπ$, and are designated according to the `collision' channel quantum numbers. A major task has been the identification of these large number of bound fine structure levels in terms of standard spectroscopic designations. A new scheme, based on the analysis of quantum defects and channel wavefunctions, has been developed. The identification scheme aims particularly to determine the completeness of the results in terms of all possible bound levels for applications to analysis of experimental measurements and plasma modeling. An uncertainty of 10-20% for most transitions is estimated.

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Fluorescent Excitation of Spectral Lines in Planetary Nebulae

Fluorescent excitation of spectral lines is demonstrated as a function of temperature-luminosity and the distance of the emitting region from the central stars of planetary nebulae. The electron densities and temperatures are determined, and the method is exemplified through a detailed analysis of spectral observations of a high excitation PN, NGC 6741, observed by Hyung and Aller(1997). Fluorescence should also be important in the determination of element abundances. It is suggested that the method could be generally applied to determine or constrain the luminosity and the region of spectral emission in other intensively radiative sources such as novae, supernovae, and active galactic nuclei.

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Photoionization and recombination of Fe XIX

Photoionization cross sections and recombination rate coefficients are presented for the L-shell ground state fine structure levels $2s^22p^4 \ ^3P_{2,0,1}$ of Fe~XIX. Several sets of calculations including relativistic effects are carried out: (i) Breit-Pauli R-matrix (BPRM), (ii) Relativistic Distorted Wave (RDW), and (iii) a semi-relativistic calculation. Non-relativistic LS coupling calculations are also done for comparison. The BPRM calculations employ a configuration interaction target representation for Fe~XX consisting of 12 LS terms (23-fine structure levels), as in the recently reported BPRM calculations by Donnelly et al (MNRAS, 307, 595, 1999). The background cross sections in all three sets of present calculations agree with one another, but differ considerably from those of Donnelly et al. Owing to much more extensive resonance structures in the present BPRM calculations, the sum of the corresponding recombination rate coefficients for the $^3P_{2,0,1}$ levels are up to 50% higher than the LS rates at low temperarures but comparable for higher temperatures; in contrast to the results of Donnelly et al who obtained the LS rates to be higher than their BPRM results by about a factor of 2. Reasons for these discrepancies are discussed.

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Photoionization of Fe XV

Relativistic and resonance effects in the photoionization of Mg-like Fe~XV are investigated using the Breit-Pauli R-matrix Method (BPRM) at near-threshold and intermediate energies, complemented by the Relativistic Random Phase Approximation (RRPA) and multi-channel quantum defect theory in the energy region up to the L-shell ionization thresholds. The cross sections exhibit extensive resonance structures that considerably enhance the effective photoionization of Fe~XV. These results should be of general interest in photoionization modeling of X-ray sources observed by space observatories.

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Lyman Alpha Fluorescent Excitation of FeII in Active Galactic Nuclei

We have calculated FeII emission line strengths for Active Galactic Nuclei Broad-Line Regions using precise radiative transfer and Iron Project atomic data. We improve the treatment of all previously considered excitation mechanisms for the FeII emission, continuum fluorescence, collisional excitation, fluorescence by self-overlap among the iron lines, and fluorescent excitation by Lyman-alpha. We demonstrate that Lyman-alpha fluorescence is of fundamental importance in determining the strength of the FeII emission. In addition to enhancing the ultraviolet and optical FeII flux, Lyman-alpha fluorescence also results in significant near-infrared FeII emission in the 8500-9500 Angstrom wavelength range. New observations are suggested to probe this effect in strong FeII emitting quasars.

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Ionization Structure and Spectra of Iron in Gaseous Nebulae}

The emission spectra and the ionization structure of the low ionization stages of iron, Fe I--IV, in gaseous nebulae are studied. This work includes: (i) new atomic data: photoionization cross sections, total e-ion recombination rates, excitation collision strengths, and transition probabilities; (ii) detailed study of excitation mechanisms for the [Fe II], [Fe III], and [Fe IV] emission, and spectroscopic analysis of the observed IR, optical, and UV spectra; (iii) study of the physical structure and kinematics of the nebulae and their ionization fronts. Spectral analysis of the well observed Orion nebula is carried out as a test case, using extensive collisional-radiative and photoionization models. It is shown that the [Fe II] emission from the Orion nebula is predominantly excited via electron collisions in high density partially ionized zones; radiative fluorescence is relatively less effective. Further evidence for high density zones is derived from the [O I] and [Ni II] spectral lines, as well as from the kinematic measurements of ionic species in the nebula. The ionization structure of iron in Orion is modeled using the newly calculated atomic data, showing some significant differences from previous models. The new model suggests a fully ionized H II region at densities on the order of $10^3$ cm$^{-3}$, and a dynamic partially ionized H II/H I region at densities of $10^5-10^7$ \cm3. Photoionization models also indicate that the optical [O I] and [Fe II] emission originates in high density partially ionized regions within ionization fronts. The gas phase iron abundance in Orion is estimated from observed spectra.

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