Wavelengths and transition probabilities in heavy Ge-like ions (70 ? Z ? 92)

Wavelengths and transition probabilities have been calculated for the 4s²4p²-4s4p³ and 4s²4p²-4s²4p4d allowed transitions and for the forbidden (M1 and E2) transitions occurring within the ground configuration (4s²4p²) in the heavy Ge-like ions with Z = 70-92. The fully relativistic multiconfiguration Dirac-Fock method taking into account both the correlations within the n = 4 complex and the QED effects has been used for the calculations. The present results are compared to and agree well with recent electron-beam ion-trap measurements in tungsten, osmium, gold, bismuth, thorium, and uranium.     

Relativistic energy, fine structure, and hyperfine-structure studies of the high-lying core-excited states P(n) (n = 1-3) and S(m) (m = 1-3) for the Be-like isoelectronic sequence

The variational method using a multiconfiguration interaction wavefunction is carried out on the high-lying core-excited states ⁵P(n) (n = 1-3) and ⁵S^o(m) (m = 1-3) for the Be-like isoelectronic sequence from Z = 7 to 10, including mass polarization and relativistic corrections. Relativistic energies, oscillator strengths, wavelengths, and lifetimes are reported. The results are compared with other theoretical and experimental data in the literature. The fine structure and hyperfine structure of core-excited states for this system are also investigated.     

Electron impact collision strengths and oscillator strengths for Ge-, Ga-, Zn-, Cu-, Ni-, and Co-like Au ions

Energy levels, oscillator strengths, and electron impact collision strengths have been calculated for Ge-, Ga-, Zn-, Cu-, Ni-, and Co-like Au ions. For Ni-like Au, these atomic data are obtained among the levels belonging to the configurations of ([Ne])3s²3p⁶3d¹⁰, 3s²3p⁶3d⁹nl, 3s²3p⁵3d¹⁰nl, and 3s 3p⁶3d¹⁰nl (n = 4, 5; l = 0, 1, … , n − 1). For other Au ions, more levels have been obtained with special attention to atomic data up to transitions of 5f → 3d for emission or 3d → 5f for absorption. Configuration interactions are taken into account for all levels included. Collision strengths have been obtained at 20 scattered electron energies (5-40,000 eV) and they are listed at six representative energies of 100, 500, 1000, 5000, 10,000, and 20,000 eV in this work. Effective collision strengths have been obtained by assuming a Maxwellian electron velocity distribution at 10 representative temperatures ranging from 500 to 5000 eV. The present dataset should be adequate for most applications. The energy levels are expected to be accurate to within 0.5%, while oscillator strengths and collision strengths for strong transitions are probably accurate to better than 20%. The complete dataset is available electronically from http://www.astronomy.csdb.cn/EIE/.     

Allowed and forbidden transition parameters for Fe XXII

Radiative transitions for photo-excitations and de-excitations in Fe XXII are studied in the relativistic Breit-Pauli approximation. A comprehensive set of fine structure energy levels, oscillator strengths (f), line strengths (S), and radiative decay rates (A) for electric dipole (E1), same spin multiplicity and intercombination, fine structure transitions is presented. These are obtained from the first calculations in the close coupling approximation using the Breit-Pauli R-matrix method for this ion, all existing theoretical results having been obtained from various other atomic structure calculations. The present work obtains a set of 771 fine structure energy levels with n ? 10, l ? 9, and 1/2 ? J ? 17/2, only 52 of which have been observed. The f, S, and A values are reported for 70,372 allowed E1 transitions, exceeding by far those published previously. The calculated fine structure levels have been identified spectroscopically using a procedure based on quantum defect analysis. The energies agree with the available observed energies to within less than one to a few percent. The A values for E1 transitions are in good agreement with other existing values for most transitions. Using the atomic structure code SUPERSTRUCTURE (SS), S and A values are also presented for 38,215 forbidden transitions of the types electric quadrupole (E2), electric octupole (E3), magnetic dipole (M1), and magnetic quadrupole (M2) among 274 fine structure levels formed from 25 configurations with orbitals ranging from 1s to 4f. Some of these levels lie above the ionization limit and hence can form autoionizing lines. Such lines for 1s-2p K_α transitions have been observed in experiments. The energies from the SS calculations agree with observed energies within a few percent. The A values for E2 and M1 transitions agree very well with the available values. The atomic parameters for both allowed and forbidden transitions should be applicable for diagnostics as well as complete spectral modeling in the X-ray, ultraviolet, and optical regimes of astrophysical and laboratory plasmas.     

Relativistic many-body calculations of multipole (E1, M1, E2, M2, E3, and M3) transition wavelengths and rates between 3l4l′ excited and ground states in nickel-like ions

Wavelengths, transition rates, and line strengths are calculated for the 76 possible multipole (E1, M1, E2, M2, E3, and M3) transitions between the excited 3s²3p⁶3d⁹4l, 3s²3p⁵3d¹⁰4l, and 3s3p⁶3d¹⁰4l and the ground 3s²3p⁶3d¹⁰ states in Ni-like ions with the nuclear charges ranging from Z = 30 to 100. The relativistic many-body perturbation theory (RMBPT), including the Breit interaction, is used to evaluate energies and transition rates for multipole transitions in hole-particle systems. This method is based on relativistic many-body perturbation theory, agrees with MCDF calculations in lowest-order, includes all second-order correlation corrections, and includes corrections from negative energy states. The calculations start from a 1s²2s²2p⁶3s²3p⁶3d¹⁰ Dirac-Fock potential. First-order perturbation theory is used to obtain intermediate-coupling coefficients, and the second-order RMBPT is used to determine the matrix elements. The contributions from negative-energy states are included in the second-order E1, M1, E2, M2, E3, and M3 matrix elements. The resulting transition energies and transition rates are compared with experimental values and with results from other recent calculations. As a result, we present wavelengths and transition rates data for the selected transitions that include the 76 possible multipole (E1, M1, E2, M2, E3, and M3) transitions between the excited 3s²3p⁶3d⁹4l, 3s²3p⁵3d¹⁰4l, and 3s3p⁶3d¹⁰4l states and the ground 3s²3p⁶3d¹⁰ state in Ni-like ions. Trends of the line strengths for the 76 multipole transitions and oscillator strengths for the 13 E1 transitions as function of Z are illustrated graphically. The Z-dependence of the energy splitting for all triplet terms of the 3s²3p⁶3d⁹4l, 3s²3p⁵3d¹⁰4l, and 3s3p⁶3d¹⁰4l configurations are shown in the range of Z = 30-100.     

Wavelengths and transition probabilities for n = 4 → n′ = 4 transitions in heavy Cu-like ions (70 ? Z ? 92)

Wavelengths and transition probabilities have been calculated for the n = 4 → n′ = 4 allowed transitions in the heavy Cu-like ions with Z = 70-92. Fully relativistic multiconfiguration Dirac-Fock (MCDF) calculations were carried out. They take into account the correlations within the n = 4 complex, the core-valence n = 3 → n′ = 4 virtual excitations, and quantum electrodynamics effects. The present results are compared to and agree well with recent electron-beam ion-trap (EBIT) measurements in ytterbium, tungsten, osmium, gold, lead, bismuth, thorium, and uranium.     

Internal conversion coefficients of high multipole transitions: Experiment and theories

A compilation of the available experimental internal conversion coefficients (ICCs), α_T, α_K, α_L, and ratios K/L and K/LM of high multipole (L > 2) transitions for a number of elements in the range 21 ? Z ? 94 is presented. Our listing of experimental data includes 194 data sets on 110 E3 transitions, 10 data sets on 6 E4 transitions, 11 data sets on 7 E5 transitions, 38 data sets on 21 M3 transitions, and 132 data sets on 68 M4 transitions. Data with less than 10% experimental uncertainty have been selected for comparison with the theoretical values of Hager and Seltzer [R.S. Hager, E.C. Seltzer, Nucl. Data Tables A 4 (1968) 1], Rosel et al. [F. Rösel, H.M. Fries, K. Alder, H.C. Pauli, At. Data Nucl. Data Tables 21 (1978) 91], and BRICC. The relative percentage deviations (%Δ) have been calculated for each of the above theories and the averages are estimated. The Band et al. [I.M. Band, M.B. Trzhaskovskaya, C.W. Nestor Jr., P.O. Tikkanen, S. Raman, At. Data Nucl. Data Tables 81 (2002) 1] tables, using the BRICC interpolation code, are seen to give theoretical ICCs closest to experimental values.     

Energies and E1, M1, E2, and M2 transition rates for states of the 2s2p, 2s2p,and 2p configurations in nitrogen-like ions between F III and Kr XXX

Based on relativistic wavefunctions from multiconfiguration Dirac–Hartree–Fock and configuration interaction calculations, E1, M1, E2, and M2 transition rates, weighted oscillator strengths, and lifetimes are evaluated for the states of the (1s²)2s²2p³,2s2p⁴, and 2p⁵ configurations in all nitrogen-like ions between F  III and Kr  XXX. The wavefunction expansions include valence, core–valence, and core–core correlation effects through single–double multireference expansions to increasing sets of active orbitals. The computed energies agree very well with experimental values, with differences of only 300–600 cm⁻¹ for the majority of the levels and ions in the sequence. Computed transitions rates are in close agreement with available data from MCHF-BP calculations by Tachiev and Froese Fischer [G.I. Tachiev, C. Froese Fischer, A&A 385 (2002) 716].     

Allowed and forbidden transition parameters for Fe XV

A comprehensive set of fine structure energy levels, oscillator strengths (f), line strengths (S), and radiative decay rates (A) for bound-bound transitions in Fe XV is presented. The allowed electric dipole (E1) transitions were obtained from the relativistic Breit-Pauli R-matrix method which is based on the close coupling approximation. A total of 507 fine structure energy levels with n ? 10, l ? 9, and 0 ? J ? 10 are found. They agree within 1% with the available observed energies. These energy levels yield a total of 27,812 E1, same-spin multiplets and intercombination transitions. The A values are in good agreement with those compiled by NIST and other existing values for most transitions. Forbidden transitions are obtained from a set of 20 configurations with orbitals ranging from 1s to 5f using the relativistic code SUPERSTRUCTURE (SS) in the Breit-Pauli approximation. From a set of 123 fine structure levels, a total of 6962 S and A values are presented for forbidden electric quadrupole (E2), electric octupole (E3), magnetic dipole (M1), and magnetic quadrupole (M2) transitions. The energies from SS calculations agree with observed energies to within 1-3%. A values for E2, M1 transitions agree very well with the available values for most transitions while those for M2 transitions show variable agreement. The large set of transition parameters presented should be applicable for both diagnostics and spectral modeling in the X-ray, ultraviolet, and optical regions of astrophysical plasmas.     

Revised transition probabilities for Fe XXV: Relativistic CI calculations

Revised data are provided for transition probabilities between fine-structure components of levels with n ? 6 in Fe XXV. Earlier published data for transitions between fine-structure levels in Fe XXV are found to be in error, especially for certain classes of transitions. The purpose of the present note is to provide a corrected database for transitions in Fe XXV. Wavefunctions and energies for states with n ? 6 and J = 0, 1, 2, 3 are determined using a relativistic configuration interaction (CI) expansion that includes the Breit interaction. To measure and control the numerical accuracy of the calculations, we compare our CI energies and matrix elements with values calculated using relativistic second-order many-body perturbation theory (MBPT), also including the Breit interaction. We obtain good agreement between our CI and MBPT calculations but disagree with earlier calculations for transitions with ΔL = 2 and for intercombination transitions (ΔS = 1). We provide wavelengths, line strengths, and transitions rates for fine-structure transition between levels with n ? 6 in Fe XXV.     

Energy levels and radiative rates for transitions in B-like to F-like Kr ions (Kr XXXII-XXVIII)

Energy levels, radiative rates, oscillator strengths, line strengths, and lifetimes have been calculated for transitions in B-like to F-like Kr ions, Kr XXXIII-XXVIII. For the calculations, the fully relativistic GRASP code has been adopted, and results are reported for all electric dipole (E1), electric quadrupole (E2), magnetic dipole (M1), and magnetic quadrupole (M2) transitions among the lowest 125, 236, 272, 226, and 113 levels of Kr XXXII, Kr XXXI, Kr XXX, Kr XXIX, and Kr XXVIII, respectively, belonging to the n ? 3 configurations. Comparisons are made with earlier available theoretical and experimental results, and some discrepancies have been noted and explained.     

Improved low-lying energy levels determined from solar coronal forbidden and spin-forbidden lines in the 500-1500 Å range

We list observed parity-forbidden and spin-forbidden lines in the 500-1600 Å range emitted by solar coronal plasmas and derive improved energy levels from their wavelengths. The lines, emitted by astrophysical abundant elements, belong to transitions within the ground configurations of the type ns²np^k, for n = 2, 3 and k = 0-5, and between the lowest term of the first excited configuration 2s2p^k+1 and the 2s²2p^k ground configurations for k = 0, 1, 2. For each line we give the newly measured wavelength, and the measured or predicted wavelength from the NIST Atomic Spectra Database (ASD) (which except for a few cases includes the previously reported compilation of Kaufman and Sugar [J. Phys. Chem. Ref. Data 15 (1986) 321]), and the values of the transition probability taken from the ASD and CHIANTI database. The list contains measured wavelengths of 136 lines of which over 100 were not available for the Kaufman and Sugar compilation. In addition we provide energy levels that were derived from the reported lines.     

Mi (i = 1-5) subshell fluorescence and Coster-Kronig yields for elements with 67 ? Z ? 92

A complete set of the M_i (i = 1-5) subshell fluorescence and Coster-Kronig (CK) yields has been generated by interpolation for elements with 67 ? Z ? 92 from the Dirac-Hartree-Slater (DHS) model based values tabulated for a limited number of elements, considering the cutoff/onset of different CK transitions in accordance with the CK transition energies evaluated in the present work. The CK transition energies have been deduced from tabulated values of the Dirac-Hartree-Fock-Slater model based neutral atom binding energies [K. Huang, M. Aoyagi, M.H. Chen, B. Crasemann, H. Mark, At. Data Nucl. Data Tables 18 (1976) 243] and the L_i (i = 1-3) subshell CK transition energies [M.H. Chen, B. Crasemann, K. Huang, M. Aoyagi, H. Mark, At. Data Nucl. Data Tables 19 (1977) 97] in order to establish the cutoff/onset of different CK transitions at specific atomic numbers. A second set of the M_i (i = 1-5) subshell fluorescence yields have also been deduced using radiative widths computed from the Dirac-Fock (DF) model based X-ray emission rates, and the total widths reevaluated to incorporate the DF model based radiative widths in place of those based on the DHS model. Further, the CK-corrected (ν_i) and average fluorescence (?_M) fields, which are experimentally important, have been evaluated from the generated set of CK yields and two sets of fluorescence yields.     

Atomic data and spectral line intensities for S XIII

Electron impact collision strengths, energy levels, oscillator strengths, and spontaneous radiative decay rates are calculated for S XIII. The configurations used are 2s², 2s2p, 2p², 2l3l′, 2l4l′ and 2s5l′, with l = s, p and l′ = s, p, d, giving rise to 92 fine-structure levels in intermediate coupling. Collision strengths are calculated at seven incident energies (10, 20, 45, 90, 135, 180, and 225 Ry) for the transitions within the three lowest configurations, and five incident energies (45, 90, 135, 180, and 225 Ry) for transitions between the lowest five levels and the n = 3, 4, 5 configurations. Calculations have been carried out using the distorted wave approximation. Excitation rate coefficients are calculated as a function of electron temperature by assuming a Maxwellian electron velocity distribution. Using the excitation rate coefficients and the radiative transition rates of the present work, and R-matrix results for the 2s², 2s2p, 2p² configurations available in the literature, statistical equilibrium equations for level populations are solved at electron densities covering the range of 10⁸-10¹⁴ cm⁻³ at an electron temperature of log T_e(K) = 6.4, corresponding to the maximum abundance of S XIII. Spectral line intensities are calculated, and their diagnostic relevance is discussed. Observed line ratios indicate electron temperatures of the emitting plasma close to log T_e(K) = 6.4. This dataset will be made available in the next version of the CHIANTI database.     

Energy-level scheme and transition probabilities of Si-like ions

Theoretical energy levels and transition probabilities are presented for 27 low-lying levels of silicon-like ions from Z = 15 to Z = 106. The multiconfiguration Dirac-Fock technique is used to calculate energy levels and wave functions. The Breit interaction and Lamb shift contributions are calculated perturbatively as corrections to the Dirac-Fock energy. The M1 and E2 transitions between the five levels of the ground-state configuration and the E1 transitions between excited and the ground levels are presented.     

Electron impact collision strengths in Sn XXIII

The energy levels, multipole (E1, M1, E2, and M2) transition rates, and electron-impact collision strengths are calculated for Sn XXIII. The data refer to 107 fine-structure levels belonging to the configurations (1s²2s²2p⁶)3s²3p⁶3d¹⁰, 3s²3p⁶3d⁹4?, 3s²3p⁵3d¹⁰4?, and 3s3p⁶3d¹⁰4?(? = s, p, d, and f). The collision strengths are calculated with a 20-collision-energy grid in terms of the energy of the scattered electron between 37.5 and 8436 eV by using the distorted-wave approximation. Effective collision strengths are obtained at five electron temperatures, T_e (eV) = 193.89, 387.78, 581.67, 775.57, and 969.46, by integrating the collision strengths over a Maxwellian electron distribution.     

Atomic data and spectral line intensities for Mg IX

Electron impact collision strengths, energy levels, oscillator strengths, and spontaneous radiative decay rates are calculated for Mg IX. The configurations used are 2s², 2s2p, 2p², 2l3l′, 2l4l′ and 2s5l′, with l = s, p and l′ = s, p, d giving rise to 92 fine-structure levels in intermediate coupling. Collision strengths are calculated at seven incident energies (6, 12, 25, 50, 75, 100, and 125 Ry) for the transitions within the three lowest configurations, and five incident energies (25, 50, 75, 100, and 125 Ry) for transitions between the ground configuration and the n = 3, 4, 5 configurations. Calculations have been carried out using the distorted wave approximation. Excitation rate coefficients are calculated as a function of electron temperature by assuming a Maxwellian electron velocity distribution. Using the excitation rate coefficients and the radiative transition rates of the present work, and R-Matrix results for the 2s², 2s2p, 2p² configurations available in the literature, statistical equilibrium equations for level populations are solved at electron densities covering the range of 10⁸-10¹⁴ cm⁻³ at an electron temperature of log T_e (K) = 6.0, corresponding to the maximum abundance of Mg IX. Spectral line intensities are calculated, and their diagnostic relevance is discussed. Observed line ratios indicate electron temperatures of the emitting plasma which agree with log T_e (K) = 6.0. This dataset will be made available in the next version of the CHIANTI database.     

Oxygen potential and thermal conductivity of (U, Pu) mixed oxides

(U, Pu) mixed oxides, (U_1−yPu_y)O_2−x, with y = 0.21 and 0.28 are being considered as fuels for the Prototype Fast Breeder Reactor (PFBR) in India. The use of urania-plutonia solid solutions in PFBR calls for accurate measurement of physicochemical properties of these materials. Hence, in the present study, oxygen potentials of (U_1−yPu_y)O_2−x, with y = 0.21 and 0.28 were measured over the temperature range 1073-1473 K covering an oxygen potential range of −550 to −300 kJ mol⁻¹ (O/M ratio from 1.96 to 2.000) by employing a H₂/H₂O gas equilibration technique followed by solid electrolyte EMFmeasurement. (U_1−yPu_y)O_2−x, with y = 0.40 is being used in the Fast Breeder Test Reactor (FBTR) in India to test the behaviour of fuels with high plutonium content. However, data on the oxygen potential as well as thermal conductivity of the mixed oxides with high plutonium content are scanty. Hence, the thermal diffusivity of (U_1−yPu_y)O₂, with y = 0.21, 0.28 and 0.40 was measured and the results of the measurements are reported.     

Energies, wavelengths, and transition probabilities for Ge-like Kr, Mo, Sn, and Xe ions

Energy levels, wavelengths, transition probabilities, and oscillator strengths have been calculated for Ge-like Kr, Mo, Sn, and Xe ions among the fine-structure levels of terms belonging to the ([Ar] 3d¹⁰)4s²4p², ([Ar] 3d¹⁰)4s 4p³, ([Ar] 3d¹⁰)4s²4p 4d, and ([Ar] 3d¹⁰)4p⁴ configurations. The fully relativistic multiconfiguration Dirac-Fock method, taking both correlations within the n=4 complex and the quantum electrodynamic effects into account, have been used in the calculations. The results are compared with the available experimental and other theoretical results.     

Relative intensities for Li (i = 1-3) and Mi (i = 1-5) subshell X-rays

The intensities for L_i (i = 1-3) subshell X-ray lines have been computed relative to the most intense line in each series, for elements with 30 ? Z ? 92, from published X-ray emission rates based on the Dirac-Fock (DF) model. In the case of M_i (i = 1-5) subshell X-ray lines, complete sets of emission rates based on both the Dirac-Hartree-Slater and the DF models have been generated for elements with 65 ? Z ? 92 by logarithmic interpolation of the data available for a limited number of elements. The intensities for different M X-ray lines have been computed relative to the most intense line in each series using these two sets of emission rates. The L_i (i = 1-3) and M_i (i = 1-5) subshell X-ray relative intensities computed from the DF model based emission rates have been least-squares-fitted to polynomials in the atomic number for use in software packages for quantitative elemental analysis using X-ray emission techniques and for other applications.