Energy levels,radiative rates,and lifetimes for transitions in W XL

Energy levels and radiative rates are reported for transitions in Br-like tungsten, W XL, calculated with the general-purpose relativistic atomic structure package (grasp). Configuration interaction (CI) has been included among 46 configurations (generating 4215 levels) over a wide energy range up to 213 Ryd. However, for conciseness results are only listed for the lowest 360 levels (with energies up to ∼43 Ryd), which mainly belong to the 4s²4p⁵,4s²4p⁴4d,4s²4p⁴4f,4s4p⁶,4p⁶4d,4s4p⁵4d,4s²4p³4d², and 4s²4p³4d4f configurations, and provided for four types of transitions, E1, E2, M1, and M2. Comparisons are made with existing (but limited) results. However, to fully assess the accuracy of our data, analogous calculations have been performed with the flexible atomic code, including an even larger CI than in grasp. Our energy levels are estimated to be accurate to better than 0.02 Ryd, whereas results for radiative rates (and lifetimes) should be accurate to better than 20% for a majority of the strong transitions.     

Energy levels,radiative rates,and lifetimes for transitions in W LVIII

Energy levels and radiative rates are reported for transitions in Cl-like W LVIII. Configuration interaction (CI) has been included among 44 configurations (generating 4978 levels) over a wide energy range up to 363 Ryd, and the general-purpose relativistic atomic structure package (grasp) adopted for the calculations. Since no other results of comparable complexity are available, calculations have also been performed with the flexible atomic code (fac), which help in assessing the accuracy of our results. Energies are listed for the lowest 400 levels (with energies up to ∼98 Ryd), which mainly belong to the 3s²3p⁵, 3s3p⁶, 3s²3p⁴3d, 3s²3p³3d², 3s3p⁴3d², 3s²3p²3d³, and 3p⁶3d configurations, and radiative rates are provided for four types of transitions, i.e. E1, E2, M1, and M2. Our energy levels are assessed to be accurate to better than 0.5%, whereas radiative rates (and lifetimes) should be accurate to better than 20% for a majority of the strong transitions.     

Oscillator strengths and transition probabilities from the Breit–Pauli R-matrix method: Ne IV

The atomic parameters–oscillator strengths, line strengths, radiative decay rates (A$A$), and lifetimes–for fine structure transitions of electric dipole (E1) type for the astrophysically abundant ion Ne IV are presented. The results include 868 fine structure levels with n≤$n\le$ 10, l≤$l\le$ 9, and 1/2≤J≤$\le J\le$ 19/2 of even and odd parities, and the corresponding 83,767 E1 transitions. The calculations were carried out using the relativistic Breit–Pauli R-matrix method in the close coupling approximation. The transitions have been identified spectroscopically using an algorithm based on quantum defect analysis and other criteria. The calculated energies agree with the 103 observed and identified energies to within 3% or better for most of the levels. Some larger differences are also noted. The A$A$-values show good to fair agreement with the very limited number of available transitions in the table compiled by NIST, but show very good agreement with the latest published multi-configuration Hartree–Fock calculations. The present transitions should be useful for diagnostics as well as for precise and complete spectral modeling in the soft X-ray to infra-red regions of astrophysical and laboratory plasmas.     

Electric quadrupole transition probabilities and line strengths of Ti

Electric quadrupole transition probabilities and line strengths have been calculated using the weakest bound electron potential model for sodium-like titanium, considering many transition arrays. We employed numerical Coulomb approximation and non-relativistic Hartree–Fock wavefunctions for the expectation values of radii in determination of parameters of the model. The necessary energy values have been taken from experimental data in the literature. The calculated electric quadrupole line strengths have been compared with available data in the literature and good agreement has been obtained. Moreover, some electric quadrupole transition probability and line strength values not existing in the literature for some highly excited levels have been obtained using this method.     

Energy levels,lifetimes, wavelengths,and transition probabilities of Fe XIV

Energy levels and lifetimes are reported for all the states of the n = 3 odd and even complexes of Fe XIV, as well as the 2s²4l²L states. Data for selected allowed (E1) and forbidden (E2, M1, and M2) transitions between these states are also reported. The results have been calculated using the multiconfiguration Hartree-Fock method with a Breit-Pauli relativistic correction.     

Energy levels,wavelengths, and transition rates of multipole transitions (E1, E2, M1, M2) in Au and Au ions

The fully relativistic configuration interaction method of the FAC code is used to calculate atomic data for multipole transitions in Mg-like Au (Au⁶⁷⁺) and Al-like Au (Au⁶⁶⁺) ions. Generated atomic data are important in the modeling of M-shell spectra for heavy Au ions and Au plasma diagnostics. Energy levels, oscillator strengths and transition rates are calculated for electric-dipole (E1), electric quadrupole (E2), magnetic dipole (M1), and magnetic quadrupole (M2) for transitions between excited and ground states 3l−nl^′$3l-n{l}^{\prime }$, such that n=4,5,6,7$n=4,5,6,7$. The local central potential is derived using the Dirac–Fock–Slater method. Correlation effects to all orders are considered by the configuration interaction expansion. All relativistic effects are included in the calculations. Calculated energy levels are compared against published values that were calculated using the multi-reference many body perturbation theory, which includes higher order QED effects. Favorable agreement was observed, with less than 0.15% difference.     

Relativistic energy levels, lifetimes, and transition probabilities for the sodium-like to argon-like sequences

Energy levels, lifetimes, and transition probabilities for transitions between computed levels are reported for the Na-like (Z = 11, … , 26) to Ar-like (Z = 18, … , 30) sequences. Several methods have been used—non-orthogonal spline CI, multiconfiguration Hartree-Fock (MCHF), and also multiconfiguration Dirac-Hartree-Fock (MCDHF). The first two methods included relativistic effects through the Breit-Pauli Hamiltonian, omitting only the orbit-orbit interaction. Both allowed (E1) and some forbidden (M1, E2, M2, E3) transitions are reported.     

Theoretical transition probabilities, oscillator strengths, and radiative lifetimes of levels in Pb IV

Transition probabilities and oscillator strengths of 176 spectral lines with astrophysical interest arising from 5d¹⁰ns (n = 7,8), 5d¹⁰np (n = 6,7), 5d¹⁰nd (n = 6,7), 5d¹⁰5f, 5d¹⁰5g, 5d¹⁰nh (n =  6,7,8), 5d⁹6s², and 5d⁹6s6p configurations, and radiative lifetimes for 43 levels of Pb IV, have been calculated. These values were obtained in intermediate coupling (IC) and using relativistic Hartree-Fock calculations including core-polarization effects. For the IC calculations, we use the standard method of least-square fitting from experimental energy levels by means of the Cowan computer code. The inclusion in these calculations of the 5d¹⁰7p and 5d¹⁰5f configurations has facilitated a complete assignment of the energy levels in the Pb IV. Transition probabilities, oscillator strengths, and radiative lifetimes obtained are generally in good agreement with the experimental data.     

Energy levels, transition probabilities, and electron impact excitations for La XXX

The energy levels, spontaneous radiative decay rates, and electron impact collision strengths are calculated for La XXX. The data refer to 107 fine-structure levels belonging to the configurations (1s²2s²2p⁶)3s²3p⁶3d¹⁰, 3s²3p⁶3d⁹4l, 3s²3p⁵3d¹⁰4l, and 3s3p⁶3d¹⁰4l (l = s, p, d, f). The collision strengths are calculated with a 20-collision-energy grid in terms of the energy of the scattered electron between 10 and 10,000 eV by using the distorted-wave approximation. Effective collision strengths are obtained at seven electron temperatures: T_e (eV) = 10, 100, 300, 500, 800, 1000, and 1500 by integrating the collision strengths over a Maxwellian electron distribution. Coupled with these atomic data, a hydrodynamic code MED103 can be used to simulate the Ni-like La X-ray laser at 8.8 nm.     

Relativistic M-subshell radiationless transition probabilities and energies for Zn,Cd and Hg

Theoretical calculations of radiationless transition probabilities and energies for M-subshell vacancies in Zn, Cd, and Hg are tabulated using the Dirac–Fock method. Transition probabilities between an initial vacancy state and a final two-vacancies state are presented for each initial and final atomic angular momentum quantum number. Calculations were performed in the single configuration approach with the Breit interaction, self-energy and (Uehling) vacuum polarization corrections included in the self-consistent method. Higher-order retardation corrections and QED effects were also included as perturbations.     

Energy levels, transition probabilities, and electron impact excitation collision strengths for Xe XXVII

The energy levels, spontaneous radiative decay rates, and electron impact collision strengths are calculated for Xe XXVII. The data refer to 107 fine-structure levels belonging to the configurations (1s²2s²2p⁶)3s²3p⁶3d¹⁰, 3s²3p⁶3d⁹4l, 3s²3p⁵3d¹⁰4l and 3s3p⁶3d¹⁰4l (l = s, p, d, f). The collision strengths are calculated with a grid of 20 collision energies between 10 and 1500 eV in terms of the energy of the scattered electron, by using the distorted-wave approximation. Effective collision strengths are obtained at six temperatures, T_e (eV) = 10, 100, 300, 500, 800 and 1500, by integrating the collision strengths over a Maxwellian electron distribution. Coupled with these atomic data, a hydrodynamic code MED103 can be used to simulate the Ni-like Xe X-ray laser.     

Franck-Condon factors, transition probabilities, and radiative lifetimes for hydrogen molecules and their isotopomeres

A systematic fundamental molecular database for all isotopomeres of the hydrogen molecule (H₂, D₂, T₂, HD, HT, DT) is calculated on the basis of the latest Born-Oppenheimer potential curves and the latest electronic dipole transition moments of hydrogen molecules. Vibrational eigenvalues, Franck-Condon factors, and vibrationally resolved transition probabilities are presented for electronic transitions in each multiplet system up to principal quantum number n = 4. Radiative lifetimes of the vibrational levels in the electronically excited states are obtained from the summation over the optically allowed transitions. In a similar manner, effective transition probabilities and effective radiative lifetimes of electronically excited states are determined assuming that only the lowest vibrational level in the ground state is populated, i.e. the data are directly applicable to molecular gases. Differences between the isotopomeres are discussed briefly.     

Energy levels and radiative transition rates for Ge XXXI,As XXXII,and Se XXXIII

Fine-structure energies of the 67 levels belonging to the 1s², 1s 2l$l$, 1s3l$l$, 1s4l$l$, 1s5l$l$, and 1s6l$l$ configurations of Ge XXXI, As XXXII, and Se XXXIII have been calculated using the General-Purpose Relativistic Atomic Structure Package. In addition, radiative rates, oscillator strengths, transition wavelengths, and line strengths have been calculated for all electric dipole, magnetic dipole, electric quadrupole, and magnetic quadrupole transitions among these levels. Lifetimes are also presented for all excited levels of these three ions. We have compared our results with the results available in the literature and the accuracy of the data is assessed. We predict new energy levels, oscillator strengths, and transition probabilities where no other theoretical or experimental results are available, which will form the basis for future experimental work.     

Energy levels, oscillator strengths and transition probabilities for Si-like P II, S III, Cl IV, Ar V and K VI

Fine-structure calculations of energy levels, oscillator strengths, and transition probabilities for transitions among the terms belonging to 3s²3p², 3s3p³, 3s²3p3d, 3s²3p4s, 3s²3p4p, 3s²3p4d, 3s²3p5s and 3s²3p5p configurations of silicon-like ions P II, S III, Cl IV, Ar V and K VI have been calculated using configuration-interaction version 3 (CIV3). We compared our data with the available experimental data and other theoretical calculations. Most of our calculations of energy levels and oscillator strengths (in length form) show good agreement with both experimental and theoretical data. Lifetimes of the excited levels are also given.     

Fine-structure calculations of energy levels,oscillator strengths,and transition probabilities for sulfur-like iron,Fe XI

Energy levels, oscillator strengths, and transition probabilities for transitions among the 14 LS states belonging to configurations of sulfur-like iron, Fe XI, have been calculated. These states are represented by configuration interaction wavefunctions and have configurations 3s²3p⁴, 3s3p⁵, 3s²3p³3d, 3s²3p³4s, 3s²3p³4p, and 3s²3p³4d, which give rise to 123 fine-structure energy levels. Extensive configuration interaction calculations using the CIV3 code have been performed. To assess the importance of relativistic effects, the intermediate coupling scheme by means of the Breit–Pauli Hamiltonian terms, such as the one-body mass correction and Darwin term, and spin–orbit, spin–other-orbit, and spin–spin corrections, are incorporated within the code. These incorporations adjusted the energy levels, therefore the calculated values are close to the available experimental data. Comparisons between the present calculated energy levels as well as oscillator strengths and both experimental and theoretical data have been performed. Our results show good agreement with earlier works, and they might be useful in thermonuclear fusion research and astrophysical applications.     

Wavelengths,transition probabilities,and oscillator strengths for M-shell transitions in Co-, Ni-, Cu-, Zn-, Ga-, Ge-, and Se-like Au ions

Wavelengths, transition probabilities, and oscillator strengths have been calculated for M-shell electric dipole transitions in Co-, Ni-, Cu-, Zn-, Ga-, Ge-, and Se-like Au ions. The fully relativistic multiconfiguration Dirac–Fock method, taking quantum electrodynamical effects and the Breit correction into account, was used in the calculations. Calculated energy levels of M-shell excited states for Cu-, Zn-, Ga-, Ge-, and Se-like Au ions from the method were compared with available theoretical and experimental results, and good agreement with them was achieved.     

The energy levels and radiative transition probabilities for electric quadrupole and magnetic dipole transitions among the levels of the ground configuration, [Kr]4d4f, of W

Large-scale multiconfiguration Hartree-Fock and Dirac-Fock calculations have been performed for the ground configuration, [Kr]4d¹⁰4f⁴, energy levels of the W²⁴⁺ ion. The relativistic corrections were taken into account in the quasirelativistic Breit-Pauli and fully relativistic Breit (taking into account QED effects) approximations. The role of correlation, relativistic, and QED corrections is discussed. Line strengths, oscillator strengths, and transition probabilities in the Coulomb and Babushkin gauges are presented for the electric quadrupole (E2) transitions among these levels. The magnetic dipole transitions are also investigated. Dependence of the E2 transition probabilities on the gauge condition of the electromagnetic field potential is studied as well.