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NASA NTRS1992

Electron density diagnostics for gaseous nebulae involving the O 4 intercombination lines near 1400 A

Theoretical O IV electron density sensitive emission line ratios, determined using electron impact excitation rates calculated with the R-matrix code, are presented for R(sub 1) = I(1407.4 A)/I(1401.2 A), R(sub 2) = I(1404.8 A)/I(1401.2A), R(sub 3) = I(1399.8 A)/(1401.2 A), and R(sub 4) = I(1397.2 A)/I(1401.2 A). The observed values of R(sub 1)-R(sub 4), measured from high resolution spectra obtained with the International Ultraviolet Explorer (IUE) satellite, lead to electron densities that are compatible, and which are also in good agreement with those deduced from line ratios in other species. This provides observational support for the accuracy of the atomic data adopted in the present calculations.

Keenan, F. P.↗
NASA NTRS1993

Excitation rate coefficients and line ratios for the optical and ultraviolet transitions in S II

New calculations are reported for electron excitation collision strengths, rate coefficients, transition probabilities, and line ratios for the astrophysically important optical and UV lines in S II. The collision strengths are calculated in the close coupling approximation using the R-matrix method. The present calculations are more extensive than previous ones, including all transitions among the 12 lowest LS terms and the corresponding 28 fine-structure levels in the collisional-radiative model for S II. While the present rate coefficients for electron impact excitation are within 10-30 percent of the previous values for the low-lying optical transitions employed as density diagnostics of H II regions and nebulae, the excitation rates for the UV transitions 4S super 0 sub 3/2 - 4Psub 1/2,3/2,5/2 differ significantly from earlier calculations, by up to factor of 2. We describe temperature and density sensitive flux ratios for a number of UV lines. The present UV results are likely to be of interest in a more accurate interpretation of S II emission from the Io plasma torus in the magnetosphere of Jupiter, as well as other UV sources observed from the IUE, ASTRO 1, and the HST.

Cai, Wei↗
NASA NTRS1995

Electron excitation cross sections for the 2s(2)2p(3)4S(O) -- 2s(2)2p(3)2D(O) (forbidden) and 4S(O) -- 2s2p(4) 4P (resonance) transitions in O II

Experimental and theoretical excitation cross sections are reported for the first forbidden transition 4S(O) -- 2S(2)2p(3) 2D(O) (lambda-lambda 3726, 3729) and the first allowed (resonance) transition 4S(O) -- 2s2p(4) 4P(lambda-833) in O II. Use is made of electron energy loss and merged-beams methods. The electron energy range covered is 3.33 (threshold) to 15 eV for the S -- D transition, and 14.9 (threshold) to 40 eV for the S -- P transition. Care was taken to assess and minimize the metastable fraction of the O II beam. An electron mirror was designed and tested to reflect inelastically backscattered electrons into the forward direction to account for the full range of polar scattering angles. Comparisons are made between present experiments and 11-state R-matrix calculations. Calculations are also presented for the 4S(O) -- 2s(2)2p(3)2P(O) (lambda-2470) transition.

Zuo, M.↗
NASA NTRS1995

N IV emission lines in the ultraviolet spectra of gaseous nebulae

Theoretical electron density sensitive emission-line ratios, determined using electron impact excitation rates calculated with the R-matrix code, are presented for R = I(2s(sup 2) (1)S-2s2p 3P(sub 2))/I(2s(sup 2) (1)S-2s2p 3P(sub 1) = 1(1483 A)/I(1486 A) in N IV. These are found to be up to an order of magnitude different from those deduced by previous authors, principally due to the inclusion of excitation rates for transitions among the 2s2p (3)p fine-structure levels. The observed values of R for several planetary nebulae, symbiotic stars and the Cygnus Loop supernova remnant, measured from spectra obtained with the International Ultraviolet Explorer (IUE) satellite and the Hopkins Ultraviolet Explorer (HUT), lead to electron densities which are in excellent agreement with those deduced from line ratios in other species. This provides observational support for the accuracy of the atomic data adopted in the present calculations.

Keenan, F. P.↗
NASA NTRS1996

Collision Strengths for Electron Impact Excitation of Inelastic Transitions in Ar II

We have calculated collision strengths for electron impact excitation of inelastic transitions in Ar II using the R-matrix method in two independent nine- and 19-state close-coupling approximations. In the nine-state calculation the 3s(sup 2)3p(sup 5)2p(sup 0), 3S(sup 3)p(sup 6)S-2, 3p(sup 4)(P-3)4s(sup 2)P, 3p(sup 4)(P-3)3d(sup 2)P, 3p(sup 4)(D-1)4s(sup 2)D, 3p(sup 4)(P-3)3d(sup 2)D, 3p(sup 4)(S-1)4s(sup 2)S, 3p(sup 4)(D-1)3d(sup 2)S and 3p(sup 4)(D-1)4d(sup 2)S states are included, while in the 19-state calculation these states plus an additional ten states 3p(sup 4)(P-3)3d(sup 2)F, 3p(sup 4)(P-3)4p(sup 2)D(sup 0), 2p(sup 0), 2S(sup 0), 3p(sup 4)(D-1)4p(sup 2)P(sup 0), 2D(sup O), 2F(sup 0), 3p(sup 4)(D-1)3d(sup 2)D, p-2 and 3p(sup 4)(S-1)4p(sup 2)P(sup 0) are considered. These target states are represented by fairly extensive configuration-interaction wavefunctions which yield excitation energies and oscillator strengths that are generally in good agreement with the available most accurate calculations and the experimental values. Rydberg series of resonances converging to the excited state thresholds are included in the calculation. The effective collision strengths are obtained assuming a Maxwellian distribution of electron energies which are tabulated over the temperature range (0.5-20) x 10(exp 4) K.

Tayal, S. S.↗
NASA NTRS1998

Cross Sections for Electron Impact Excitation of Ions Relevant to Planetary Atmospheres Observation

The goal of this research grant was to calculate accurate oscillator strengths and electron collisional excitation strengths for inelastic transitions in atomic species of relevance to Planetary Atmospheres. Large scale configuration-interaction atomic structure calculations have been performed to obtain oscillator strengths and transition probabilities for transitions among the fine-structure levels and R-matrix method has been used in the calculations of electron-ion collision cross sections of C II, S I, S II, S III, and Ar II. A number of strong features due to ions of sulfur have been detected in the spectra of Jupiter satellite Io. The electron excitation cross sections for the C II and S II transitions are studied in collaboration with the experimental atomic physics group at the Jet Propulsion Laboratory. There is excellent agreement between experiment and theory which provide an accurate and broad-base test of the ability of theoretical methods used in the calculation of atomic processes. Specifically, research problems have been investigated for: electron impact excitation cross sections of C II: electron impact excitation cross sections of S III; energy levels and oscillator strengths for transitions in S III; collision strengths for electron collisional excitation of S II; electron impact excitation of inelastic transitions in Ar II; oscillator strengths of fine-structure transitions in neutral sulfur; cross sections for inelastic scattering of electrons from atomic nitrogen; and excitation of atomic ions by electron impact.

Tayal, Swaraj S.↗
NASA NTRS1997

Electron Excitation Cross Sections for the S II Transitions: 3s(exp 2)3p(exp 3) 4S(exp o) approaches 3s(exp 2)3p(exp 3) 2D(exp o), 2P(exp o), and 3s3p(exp 4) 4P

Experimental and theoretical collisional excitation cross sections are reported for the transitions 3s(exp 2)3p(exp 3)4S(exp o) approaches 3s(exp 2)3p(exp 3) 2D(exp o), 2P(exp o), and 3s3P(exp 4) 4P in S II. The transition wavelengths (energies) are 6716 A (1.85 eV), 4069 A (3.05 eV), and 1256 A (9.87 eV), respectively. In the experiments, use is made of the energy-loss merged-beams method. The metastable fraction of the S II beam was assessed and minimized. The contribution of elastically scattered electrons was reduced by the use of a lowered solenoidal magnetic field and a modulated radio-frequency voltage on the analyzing plates and by retarding grids to reject the elastically scattered electrons with larger Larmor radii. For each transition, comparisons are made among experiments, the new 19 state R-matrix calculation, and three other close-coupling calculations.

Liao, C.↗
NASA NTRS1997

Effective Collision Strengths for Electron Impact Excitation of Inelastic Transitions in S III

We have calculated electron collisional excitation strengths for all electric dipole forbidden, semi-forbidden, and allowed transitions among the lowest 17 LS states 3s(exp 2)3p(exp 2) P-3, D-1, S-1, 3s3p(exp 3)S-5(exp 0), D-3(exp 0), P-3(exp 0), P-1(exp 0), S-3(exp 0), D-1(exp 0), 3S(exp 2)3p3d D-1(exp 0), F-3(exp 0), P-3(exp 0), D-3(exp 0), F-3(exp 0), P-1(exp 0), and 3S(exp 2)3p4S P-3(exp 0), P-l(exp 0) of S III using the R-matrix method. These S m states are represented by fairly extensive configuration-interaction wave functions that yield excited state energies in close agreement with recent laboratory measurements. Rydberg series of resonances converging to the excited state thresholds are explicitly included in the scattering calculation. The effective collision strengths are determined assuming Maxwellian distribution of electron energies. These are listed over a wide temperature range ([0.5-10] x 10(exp 4) K) and compared, where possible, with other available calculations. Subject headings: atomic data - atomic processes

Tayal, S. S.↗
NASA NTRS1996

Electron Excitation Cross Sections for the C II Transitions 2s(exp 2)2p P-2(exp 0) yields 2s2p(exp 2) P-4, D-2, and S-2

Experimental and theoretical excitation cross sections are reported for the transitions 2s(exp 2) 2p-2(exp 0) yield 2s2p(exp 2)P-4, D-2, and S-2 in C II. The transition wavelengths (energies) are 2324 A (5.34 eV), 1335 x (9.29 eV), and 1036 A (11.97 eV), respectively. Use is made of electron energy-loss and merged beams methods. The energy range covered is from below each threshold (4 - 11 eV) to 15-24 eV. As in previous work with O II, care was taken to assess and minimize the metastable fraction in the C II beam, to account for contributions from nearby energy-loss features, and to collect the full angular range of inelastically scattered electrons. A comparison is made for each transition between experiment and new 8-state R-matrix calculations. Subject headings: atomic data ultraviolet: general

Smith, Steven J.↗
NASA NTRS2000

Recent Theoretical Studies On Excitation and Recombination

New advances in the theoretical treatment of atomic processes in plasmas are described. These enable not only an integrated, unified, and self-consistent treatment of important radiative and collisional processes, but also large-scale computation of atomic data with high accuracy. An extension of the R-matrix work, from excitation and photoionization to electron-ion recombination, includes a unified method that subsumes both the radiative and the di-electronic recombination processes in an ab initio manner. The extensive collisional calculations for iron and iron-peak elements under the Iron Project are also discussed.

Pradhan, Anil K.↗
NASA NTRS2000

Emission Lines of O III in The Optical and Ultraviolet Spectra of Planetary Nebulae

Recent R-matrix calculations of electron impact excitation rates in 0 III are used to calculate electron temperature and density-dependent emission line ratios R (sub 1) = I(4363 Angstroms)/ I(4960 Angstroms + 5007 Angstroms), R (sub 2) = I(1661 Angstroms + 1667 Angstroms)/ I(4960 Angstroms + 5007 Angstroms) and R (sub 3)= I(2322 Angstroms)/ I(1661 Angstroms + 1667 Angstroms), for a range of electron temperatures (7500 less than or equal to Te less than or equal to 30 000 K) and densities (10 (exp 4) less than or equal to N (sub e) less than or equal to 10 (exp 7) per cubic centimeters) applicable to gaseous nebulae. The ratio-ratio diagrams (R (sub 1), R (sub 2)) and (R (sub 1), R (sub 3)) should, in principle, allow the simultaneous determination of T (sub e) and N (sub e) from measurements of the 0 III features in a spectrum. Plasma parameters derived for a sample of high-excitation planetary nebulae from (R (sub 1), R (sub 2)) and (R (sub 1), R (sub 3)) measurements, produced using a combination of ultraviolet spectra obtained with the International Ultraviolet Explorer (IUE) and optical data from a number of observing runs, are found to show excellent internal consistency. They also show, in general, good agreement with the values of Te and Ne estimated from other line ratios in the nebulae, therefore providing observational support for the accuracy of the theoretical ratios and hence the atomic data adopted in their derivation.

Crawford, F. L.↗
NASA NTRS2000

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 collisional 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 utilized in the formation of X-ray spectra of the K alpha complex at 6.7 keV from He-like Fe XXV.

Pradhan, Anil K.↗
NASA NTRS2000

Photoionization and Recombination

Theoretically self-consistent calculations for photoionization and (e + ion) recombination are described. The same eigenfunction expansion for the ion is employed in coupled channel calculations for both processes, thus ensuring consistency between cross sections and rates. The theoretical treatment of (e + ion) recombination subsumes both the non-resonant recombination ("radiative recombination"), and the resonant recombination ("di-electronic recombination") processes in a unified scheme. In addition to the total, unified recombination rates, level-specific recombination rates and photoionization cross sections are obtained for a large number of atomic levels. Both relativistic Breit-Pauli, and non-relativistic LS coupling, calculations are carried out in the close coupling approximation using the R-matrix method. Although the calculations are computationally intensive, they yield nearly all photoionization and recombination parameters needed for astrophysical photoionization models with higher precision than hitherto possible, estimated at about 10-20% from comparison with experimentally available data (including experimentally derived DR rates). Results are electronically available for over 40 atoms and ions. Photoionization and recombination of He-, and Li-like C and Fe are described for X-ray modeling. The unified method yields total and complete (e+ion) recombination rate coefficients, that can not otherwise be obtained theoretically or experimentally.

Nahar, Sultana N.↗
NASA NTRS1995

The FEM-R-Matrix Approach: Use of Mixed Finite Element and Gaussian Basis Sets for Electron Molecule Collisions

For the calculation of electron molecule collision cross sections R-matrix methods automatically take advantage of the division of configuration space into an inner region (I) bounded by radius tau b, where the scattered electron is within the molecular charge cloud and the system is described by an correlated Configuration Interaction (CI) treatment in close analogy to bound state calculations, and an outer region (II) where the scattered electron moves in the long-range multipole potential of the target and efficient analytic methods can be used for solving the asymptotic Schroedinger equation plus boundary conditions.

Thuemmel, Helmar T.↗
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.↗
NASA NTRS1995

Electron Excitation Cross Sections for the C // Transitions 2s(sup 2)wp (sup 2)Pdegree -- 2s2p(sup 2) (sup 4)P, (sup 2)D and (sup 2)S

Experimental and theoretical excitation cross sections are reported for the transitions 2s22p 2Po 2s2p2 4P, 2D and 2S in C //. The transition wavelengths (energies) are l 2324 A (5.34 eV), l 1335 A (9.29 eV), and l 1036 A (11.96 eV), respectively. Use is made of electron energy-loss and merged- beams methods. The energy range covered is from below each threshold (4-11 eV) to 22-25 eV. As in previous work with O //, care was taken to assess and minimize the metastable fraction in the C //beam, to account for contributions from nearby energy-loss features, and to collect the full angular range of inelastically-scattered electrons. Comparison is made for each transition between experiment and a new 8-state R-matrix calculations.

Electron Excitation↗
NASA NTRS1994

Electron Excitation Cross Sections for the 2s(sup 2)2p(sup 3) (sup 4)S -> 2s(sup 2)2p(sup 3) (sup 2d) ->2s2p(sup 4) (sup 4p) (Resonance) Transitions in Oil

Experimental and theoretical excitation cross sections are reported for the first forbidden transition xxx and the first allowed (resonance) transition xxx in OII. Use is made of electron-energy loss and merged beams methods. The electron energy range covered is 3.33 eV (threshold) to 15 eV for the S->D transition, and 14.9 eV (threshold) to 40 eV for the S->P transition. Care was taken to assess and minimize the metastable fraction of the OII beam. An electron mirror was designed and tested to reflect inelastically back-scattered electrons into the forward direction to account for the full range of polar scattering angles. Comparisons are made between present experiments and 11-state R-Matrix calculations. Calculations are also presented for the xxx transition.

electron excitation↗