Weighted f-values, A-values, and line strengths for the E1 transitions among 3d, 3d4s, and 3d4p levels of Fe III

Weighted oscillator strengths, weighted radiative rates, and line strengths for all the E1 transitions between 285 fine-structure levels belonging to the 3d⁶, 3d⁵4s, and 3d⁵4p configurations of Fe III are presented, in ascending order of wavelength. Calculations have been undertaken using the general configuration interaction (CI) code CIV3. The large configuration set is constructed by allowing single and double replacements from any of 3d⁶, 3d⁵4s, 3d⁵4p, and 3d⁵4d configurations to nl orbitals with n?5,l?3 as well as 6p. Additional selective promotions from 3s and 3p subshells are also included in the CI expansions to incorporate the important correlation effects in the n=3 shell. Results of some strong transitions between levels of 3d⁶, 3d⁵4s, and 3d⁵4p configurations are also presented and compared with other available calculations. It is found that large disagreements occur in many transitions among the existing calculations.     

Theoretical energy level spectra and transition data for 4p4d, 4p4d4f,and 4p4d configurations of W

The ab initio   quasirelativistic Hartree–Fock method developed specifically for the calculation of spectral parameters of heavy atoms and highly charged ions is used to derive transition data for a multicharged tungsten ion. The configuration interaction method is applied to include electron correlation effects. The relativistic effects are taken into account in the Breit–Pauli approximation for quasirelativistic Hartree–Fock radial orbitals. The energy level spectra, radiative lifetimes and Lande g$g$-factors are calculated for the 4p⁶4d², 4p⁶4d4f, and 4p⁵4d³ configurations of the ion W³⁶⁺. The transition wavelengths, spontaneous transition probabilities, oscillator strengths, and line strengths for the electric dipole, electric quadrupole, electric octupole, and magnetic dipole transitions among the levels of these configurations are tabulated.     

Theoretical energy level spectra and transition data for 4p4d, 4p4f and 4p4d configurations of W ion

The ab initio quasirelativistic Hartree-Fock method developed specifically for the calculation of spectral parameters of heavy atoms and highly charged ions was applied to determine atomic data for tungsten ions. The correlation effects were included by adopting the configuration interaction method. The Breit-Pauli approximation for quasirelativistic Hartree-Fock radial orbitals was employed to take into account relativistic effects. The energy level spectra, radiative lifetimes, Lande factors g were calculated for the 4p⁶4d, 4p⁶4f and 4p⁵4d² configurations of W³⁷⁺ ion. The atomic data, namely, the transition wavelengths, spontaneous emission rates and oscillator strengths for the electric dipole, electric quadrupole and magnetic dipole transitions among and within the levels of these configurations are tabulated.     

Breit-Pauli energy levels belonging to 2p, 2s2p, 2p, 2p3? configurations and all E1 transitions among these levels in Mg V

We present accurate oscillator strengths, line strengths and radiative rates for 1073 E1 transitions among the 86 levels belonging to 2s²2p⁴, 2s2p⁵, 2p⁶, and 2s²2p³(⁴S^o, ²D^o, ²P^o)3? configurations in Mg V. We have used 1s and 2s Hartree-Fock orbitals, re-optimized 2p on 2p³(²D^o)3s ³D^o and optimized 3s,3p,3d orbitals on real states. Sixteen additional orbitals up to 8d are optimized either as a correction to n = 3 physical orbitals or as a correlation orbital. A very large set of configurations including up to three electron promotions are used to account for all important correlation effects. All of the main five terms in the Breit-Pauli operator (except the orbit-orbit interaction) are included in order to account for the relativistic effects. Small adjustments to the diagonal elements of the Hamiltonian matrix are made to bring the calculated energies within a few cm⁻¹ of the corresponding NIST recommended data wherever available. The calculated oscillator strengths, line strengths, and radiative rates for almost all of the E1 transitions show excellent agreement with the corresponding MCDF results of Fischer. The recent results of Bhatia et al. are found to be consistently higher by 20-45%. The accuracy of the present calculation is considered to be better than the NIST accuracy ratings for various transitions.     

Transition probabilities and oscillator strengths of E1 transitions in Fe XII and Fe XIV

Non-orthogonal orbitals in the multiconfiguration Hartree-Fock approach are used to calculate line strengths, oscillator strengths and transition probabilities for E1 transitions among the fine-structure levels of the 3s²3p³, 3s3p⁴, 3s²3p²3d, 3s3p³3d, 3p⁵ and 3s²3p3d² configurations in Fe XII and 3s²3p, 3s3p², 3s²3d, 3p³, 3s3p3d, 3p²3d, 3s3d², 3p3d², 3s²4s, 3s²4p, 3s3p4s and 3s²4d configurations in Fe XIV. The lifetimes of excited levels belonging to these configurations of Fe XII and Fe XIV are also presented. An accurate representation of the levels has been obtained using spectroscopic and correlation radial functions. The wavefunctions exhibit large correlations and significant dependence of one-electron valence orbitals due to both the total and intermediate terms. The relativistic corrections are included through the one-body and two-body operators in the Breit-Pauli Hamiltonian. Progressively larger calculations are performed to check for important electron correlation contributions and for convergence of results. The atomic wavefunctions give excitation energies which are in close agreement with experiment. The present oscillator strengths and transition probabilities compare very well with previous large scale calculations.     

Energy levels,oscillator strengths,radiative decay rates,and fine-structure collision strengths for the Zn-like ions Nb XII and Mo XIII

Energy levels, line strengths, oscillator strengths, radiative decay rates, and fine-structure collision strengths are presented for the Zn-like ions Nb XII and Mo XIII. The atomic data are calculated with the AUTOSTRUCTURE code, where relativistic corrections are introduced according to the Breit–Pauli distorted wave approach. We present the calculations of atomic data for 110 fine-structure levels generated from fifteen configurations (1s²2s²2p⁶3s²3p⁶3d¹⁰)4s², 4s4p, 4p², 4s4d, 4s4f, 4s5s, 4p4d, 4s5p, 4s5d, 4p4f, 4p5s, 4d², 4d4f, 4f², and 3d⁹4s²4p. Fine-structure collision strengths for transitions from the ground and the first four excited levels are presented at six electron energies (20, 50, 80, 110, 150, and 180 Ryd). Our atomic structure data are compared with the available experimental and theoretical results.     

Electron collisions with Fe-peak elements: Forbidden transitions between the low lying valence states 3d, 3d4s, and 3d4p of Fe III

Effective collision strengths are presented for the Fe-peak element Fe III at electron temperatures (T_e in degrees Kelvin) in the range 2 × 10³ to 1 × 10⁶. Forbidden transitions results are given between the 3d⁶, 3d⁵4s, and the 3d⁵4p manifolds applicable to the modeling of laboratory and astrophysical 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.     

New atomic data for Ti X

A large-scale configuration interaction (CI) calculation using CIV3 is performed for the 303 fine-structure levels of the aluminum-like titanium ion. We have calculated the energy levels, oscillator strengths, and transition probabilities for the electric dipole allowed and intercombination transitions among the levels of ground state 3s²3p (²p^o) and higher energy levels of states 3s3p², 3p³, 3s3p3d, 3p²3d, 3s²4s, 3s3d², 3s²4p, 3s3p4s, 3s3p4p, 3p3d², 3s3p4d, 3s3p4f, 3s²5p, 3p²4p, 3s3d4s, 3s3p5s, 3s3d4p, 3s3p5p, 3s²(4d, 4f, 5s, 5d, 5f, 6s, 6p, 6d, 6f) of Ti X in the LSJ coupling scheme. The calculations include all the major correlation effects. We attempt to correct the inaccuracies in the CI coefficients in the wavefunctions, which would lead to inaccuracies in transition probabilities by applying a “fine-tuning” technique. The relativistic effects are incorporated by adding the mass correction, Darwin, and spin-orbit interaction terms into the non-relativistic Hamiltonian in the Breit-Pauli approximation. The present results are in good agreement with other available calculations and experiments. Several new lines corresponding to 3s3pnl (n = 4, 5 and l = 0, 1), 3s²5p, 3s²(6s, 6p) and other configurations are predicted where no other theoretical or experimental results are available. We expect that our extensive calculations will be useful to experimentalists in identifying the fine-structure levels in their future work.     

Fine-structure calculations of energy levels, oscillator strengths, and transition probabilities for sodium-like ions (Co XVII-Kr XXVI)

We have calculated fine-structure energy levels, oscillator strengths and transition probabilities for transitions among the terms belonging to the 1s²2s²2p⁶ns (²S), 1s²2s²2p⁶np (²P), 1s²2s²2p⁶nd (²D) (n = 3, 4, 5), and 1s²2s²2p⁶nf (²F) (n = 4, 5) configurations. The calculations are based upon the general configuration-interaction code CIV3 of Hibbert which uses orthonormal orbitals of radial functions expressed as superpositions of normalized Slater-type orbitals. Our calculated values are compared with experimental and other theoretical results where a satisfactory agreement is found. We also report on some unpublished energy values and oscillator strengths.     

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.     

Atomic data and spectral line intensities for Ni XIV

Electron impact collision strengths, energy levels, oscillator strengths, and spontaneous radiative decay rates are calculated for Ni XIV. We include in the calculations all the configurations belonging to the n=3 complex, and provide data for the lowest 143 fine-structure levels, belonging to the configurations 3s²3p³, 3s3p⁴, 3s²3p²3d, 3p⁵, 3s3p³3d, and 3s²3p3d². Collision strengths are calculated at six incident energies for all transitions: 0.112, 8.07, 21.3, 43.4, 80.3, and 141.8 Ry above the threshold of each transition. Calculations have been carried out using the Flexible Atomic Code. 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, statistical equilibrium equations for level populations are solved at electron densities covering the range of 10⁸-10¹⁴ cm⁻³ and at an electron temperature of , corresponding to the maximum abundance of Ni XIV. Spectral line intensities are calculated, and their diagnostic relevance is discussed. This data set is available in version 6.0 of the CHIANTI database.     

Energy levels,oscillator strengths,and radiative rates for Si-like Zn XVII,Ga XVIII,Ge XIX,and As XX

The energy levels, oscillator strengths, line strengths, and transition probabilities for transitions among the terms belonging to the 3s²3p², 3s3p³, 3s²3p3d, 3s²3p4s, 3s²3p4p and 3s²3p4d configurations of silicon-like ions (Zn XVII, Ga XVIII, Ge XIX, and As XX) have been calculated using the configuration-interaction code CIV3. The calculations have been carried out in the intermediate coupling scheme using the Breit–Pauli Hamiltonian. The present calculations have been compared 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 have also been calculated.     

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.     

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/.     

Oscillator strengths and transition probabilities for allowed and forbidden transitions in Fe XIX

An extensive set of oscillator strengths, line strengths, and radiative decay rates for the allowed and forbidden transitions in Fe XIX is presented. They correspond to 1626 fine structure levels of total angular momenta 0≤J≤8 of even and odd parities with 2≤n≤10, 0≤l≤9, 0≤L≤10, and (2S+1)=1, 3, 5. In contrast, the compiled table of the National Institute for Standards and Technology (NIST) lists only 63 observed levels. A total of 289,291 electric dipole allowed transitions are presented. They were obtained in the close coupling approximation using the relativistic Breit-Pauli R-matrix method. The wavefunction expansion included 15 levels of the configurations 2s²2p³, 2s2p⁴, and 2p⁵ of the Fe XX core. The calculated fine structure levels are assigned with spectroscopic identifications using quantum defect analysis. Comparison with the observed energies shows very good agreement, the largest difference being less than 4%. The transitions also compare well with the compiled data by NIST and recent calculations. The forbidden transitions of the electric quadrupole and octupole, and magnetic dipole and quadrupole, type are presented for the 379 levels of the configurations 2s²2p⁴, 2s2p⁵, 2p⁶, 2s²2p³3s, 2s²2p³3p, 2s²2p³3d, 2s²2p³4s, 2s²2p³4p, 2s²2p³4d, 2s²2p³4f, 2s2p⁴3s, 2s2p⁴3p, 2s2p⁴3d, 2s2p⁴4s, 2s2p⁴4p, and 2s²2p²3s² of Fe XIX. They correspond to a total of 66,619 transitions. These results have been obtained from relativistic Breit-Pauli atomic structure calculations using the program SUPERSTRUCTURE. The forbidden transition probabilities show very good agreement with those compiled by NIST.     

Energy levels,lifetimes, and transition probabilities for Mn XII and Ge XIX

Energy levels, transition probabilities, oscillator strengths, line strengths, and lifetimes have been calculated for silicon-like manganese and germanium, Mn XII and Ge XIX. The configurations 3s²3p², 3s3p³, 3s²3p3d, 3s3p²3d, and 3p⁴ were used in the calculations and 88 fine-structure levels were obtained. The fully relativistic GRASP code has been adopted, and results are reported for all electric dipole, electric quadrupole, magnetic dipole, and magnetic quadrupole transitions among levels of Mn XII and Ge XIX. Comparisons have been made with available theoretical and experimental results.     

Oscillator strengths and radiative rates for transitions in neutral sulfur

We present accurate oscillator strengths and radiative rates for 2173 E1 transitions among the 120 levels belonging to 3s²3p⁴, 3s3p⁵, and 3s²3p³(⁴S^o,²D^o,²P^o)n? configurations where . A configuration interaction approach is employed through the standard CIV3 program. The 114 LS states included in the present calculation generate 250 fine-structure levels belonging to the above configurations below 100,000 cm⁻¹. However, results of only 120 fine-structure levels are presented due to the absence of experimental energy values for the remaining levels. Tabulations of oscillator strengths and radiative rates, and their comparison with other calculations, are presented in the first two tables. In a separate table the oscillator strengths and transition probabilities, in length and velocity gauges, are presented for 2173 E1 transitions, and are arranged in ascending order of wavelength.     

Level energies, oscillator strengths, and lifetimes for transitions in Ti VI

We present an extensive, ab initio configuration interaction calculation of oscillator strengths, transition probabilities, and lifetimes of the upper levels of all transitions in Ti VI between the levels of 3s²3p⁵, 3s3p⁶, 3p⁴3d, 3p⁴4s, 3p⁴4p and 3p⁴4d states in the LSJ coupling scheme. Relativistic effects are incorporated by adding the mass correction, Darwin, and spin-orbit interaction terms to the non-relativistic Hamiltonian in the Breit-Pauli approximation. The calculations incorporate the major correlation effects. The calculated energy levels are in close agreement with most of the NIST tabulation. However, some discrepancies in the energy positions with experimental energies occur in levels with 3p⁴3d ¹D and ³P cores, particularly belonging to ²P and ²D symmetries. We predict new data for several levels where no other theoretical and/or experimental results are available. Our extensive calculations will be useful to experimentalists in identifying the fine-structure levels in their future work.     

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.