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Weighted transition rates between core-excited oddparity states with J = 1/2 and 4s 2 S 1/2 states as function of Z in Cu-like ions.
Source publication
Energies of (3s2 3p6 3d9 4l4l'), (3s2 3p5 3d10 4l4l'), and (3s 3p6 3d10 4l4l') states for Cu-like ions with Z = 30 -100 are evaluated to second order in relativistic many-body perturbation theory (RMBPT) starting from a Ni-like Dirac-Fock potential. Second-order Coulomb and Breit-Coulomb interactions are included. Correction for the frequency-depen...
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Context 1
... trends of the Z-dependence of transition rates for the transitions from core-excited odd-parity states with J = 1/2 to the ground state 4s 2 S 1/2 states are presented in Fig. 1 . The trends for the transitions from core-excited even-parity states with J = 1/2 to the singly excited state 4p 2 P 3/2 are shown in Fig. 2. More transition rate figures are given in ...
Context 2
... Z and lead to abrupt changes in the transition rate curves when the partial rates associated with the dominant configurations below and above the crossing point are significantly different. Zeros in tran- sition matrix elements lead to cusp-like minima in the transition rate curves. Examples of each of these two singularity types can be seen in Figs. 1 and 2, as well as in Figs. 1 -10 presented in EPAPS document ...
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Citations
... The present work presents the correlation corrections on wavelengths and transition rates in various MCDHF-CI models. The "correlation effect" on transition wavelengths is estimated to be about 4-7 mÅ in studied cases, and this effect is [29] 2.21 [13] 8.14 [13] 6.58 [13] 1.31 [13] 1.32 [13] RELAC [30] 8.32 [13] 7.80 [13] 3.99 [13] MBPT [35,36] 8.03 [13] 6.44 [13] 6.35 [13] 2.43 [12] a Tables VI and VIII, being a test on the expansion model used. For recommended values they are below 1% for W 46+ lines, and for W 45+ lines they are below 3% for strong lines (A > 10 13 s −1 ) and below 14% for the weak lines. ...
The 4d→3p x-ray transitions in Cu- and Ni-like tungsten ions have been studied theoretically. The multiconfiguration Dirac-Hartree-Fock (MCDHF) method and the large-scale relativistic configuration-interaction (CI) method have been employed in order to take into account electron correlation effects on the wavelengths and transition rates. It was found that the wavelengths and transition rates obtained from the MCDHF-CI method depend strongly on the size and the type of the active space used in the calculations. It has been found that extending the active space of orbitals without careful control of the configuration state function base does not always lead to good quality MCDHF-CI results for highly ionized tungsten ions.
... Relativistic many-body calculations of excitation energies and transition rates from core-excited states in Cu-like ions were presented by Safronova et al. [24]. Energies of (3s 2 3p 6 3d 9 4l4l ), (3s 2 3p 5 3d 10 4l4l ), and (3s3p 6 3d 10 4l4l ) states for Cu-like ions with Z = 30-100 were evaluated to second order in relativistic many-body perturbation theory (RMBPT) starting from a Ni-like Dirac-Fock potential. ...
Energy levels, radiative transition probabilities, and autoionization rates for [Ne]3s23p63d94l′nl, [Ne]3s23p53d104l′nl (n=4–6), and [Ne]3s23p63d95l′nl (n=5–7) states in Cu-like tungsten (W45+) are calculated using the relativistic many-body perturbation theory method (rmbpt code), the multiconfiguration relativistic Hebrew University Lawrence Livermore Atomic Code (hullac), and the Hartree-Fock relativistic method (cowan code). Autoionizing levels above the [Ne]3s23p63d10 threshold are considered. It is found that configuration mixing among [Ne]3s23p63d94l′nl and [Ne]3s23p53d104l′nl plays an important role for all atomic characteristics. Branching ratios relative to the first threshold and intensity factors are calculated for satellite lines, and dielectronic recombination (DR) rate coefficients are determined for the singly excited [Ne]3s23p63d10nl (n=5–7) as well as doubly excited, nonautoionizing [Ne]3s23p63d94s4l (l=s,p,d,f), [Ne]3s23p63d94p4l (l=p,d,f), [Ne]3s23p63d94d2, [Ne]3s23p53d104s4l (l=s,p,d), and [Ne]3s23p53d104p2 states in Cu-like W45+ ions. Contributions from the autoionizing doubly excited [Ne]3s23p63d94l′nl, [Ne]3s23p53d104l′nl, and [Ne]3s23p63d95l′nl states (with n up to 500), which are particulary important for calculating total DR rates, are estimated. Synthetic dielectronic satellite spectra from Cu-like W are simulated in a broad spectral range from 3 to 70 Å. These calculations provide highly accurate values for a number of W45+ properties useful for a variety of applications, including fusion applications.
The $4d \to 3p$ x-ray transitions in Cu- and Ni-like tungsten ions have been studied theoretically. The multiconfiguration Dirac-Hartree-Fock (MCDHF) method and the large-scale relativistic configuration-interaction (CI) method have been employed in order to take into account electron correlation effects on the wavelengths and transition rates. It was found that the wavelengths and transition rates obtained from the MCDHF-CI method depend strongly on the size and the type of the active space used in the calculations. It has been found that extending the active space of orbitals without careful control of the configuration state function base does not always lead to good quality MCDHF-CI results for highly ionized tungsten ions.
The definition of ground-state ionization energy has been given in reference [11-14]. The definition includes following information: ① the concept of the Weakest Bound Electron; ② the concept of energy level and ionization limit; ③ the choice of zero-point in quantum chemistry with respect to electronic energy of an atomic or molecular system; ④ total electronic energy of the system is equal to the sum of successive ionization energies.
In the present work, we provide a most extensive and detailed study of highly ionized Cu-like ions and diagnose extreme ultraviolet (EUV) and soft X-ray (SXR) transitions with N-shell electron excitation to M-shell and higher shells. We have determined energy levels and lifetimes for lowest 27 fine-structure levels by adopting multiconfiguration Dirac-Fock (MCDF) with the inclusion of quantum electrodynamics (QED) as well as Breit corrections as a first-order perturbation theory. We have also reported complete radiative data for strong electric dipole transitions within lowest 27 levels. We have compared our calculated results with theoretically calculated and experimentally measured results available in the literature, to measure the credibility and genuineness of our results, and achieve good agreement. Further, because of insufficiency of adequate and complete atomic data for higher levels of highly ionized Cu-like ions in the literature, we have performed other equivalent parallel calculations by implementing fully relativistic distorted wave flexible atomic code (FAC) to ensure the accuracy of our results. Additionally, we have also presented transition wavelengths of N? transitions of high-Z Cu-like ions by using Moseley's law. We believe that the large amount of atomic data presented in this paper may be useful in fusion and astrophysical plasma and in several applications, especially in lithography and cell biology.
Fine-structure energy levels of two-electron excitation configurations 3d94s2, 3d94s4p, 3d94p2 are calculated by Hartree-Fock method, which includes the configuration interaction, relativistic correction and approximate Breit correction, for copper-like Nb XIII. More accurate levels are obtained by the least-square-fit technique. The wavelengths and transition probabilities of 3d94s4p-3d104s, 3d94s2-3d104p, 3d94p2-3d104p, 3d94s4p-3d94s2 transition array are obtained, and some unknown results are predicted. Computing research shows that the 40.92 nm line should belong to 3d94s(1D)4p 2F7/2- 3d9(2D)4s22D5/2 transition, but not to the 3d94s(1D)4p 4D7/2- 3d9(2D)4s22D5/2 transition, and the upper term level should be 2F7/2, but not 4D7/2.
The multi-configuration Dirac-Hartree-Fock method is employed to calculate the fine-structure energy levels, wavelengths, transition probabilities, and oscillator strengths for electric dipole allowed (E1) and forbidden (M1, E2, M2) lines for the 4s
24p and 4s4p
2 configurations of W XLIV. The valence-valence and core-valence correlation effects are accounted for in a systematic way. Breit interactions and quantum electrodynamics (QED) effects are estimated in subsequent relativistic configuration interaction (CI) calculations. The present results are in good agreement with other available theoretical and experimental values, and we predict new data for several levels where no other theoretical and/or experimental results are available, precise measurements are clearly needed here.
Energies of the three-electron-above the closed-shell lutetium-like ions ([Xe]4f145d3, [Xe]4f145d26s, [Xe]4f145d26p and [Xe]4f145d6s6p states) with Z = 74–100 are determined using second-order relativistic many-body perturbation theory. Our calculations start from a Er-like V(N − 3) Dirac–Fock potential ([Xe]4f14, where [Xe] = 1s22s22p63s23p63d104s24p64d105s25p6). Second-order Coulomb and Breit–Coulomb interactions are included. Correction for the frequency dependence of the Breit interaction is taken into account in the lowest order. The Lamb shift correction to energies is also included in the lowest order. The three-electron contributions to the energy are compared with the one- and two-electron contributions. They are found to contribute about 10–20% of the total second-order energy. The ratios of the third- and second-order corrections to the one-electron contributions are found to be about 5–10%. A detailed discussion of the various contributions to the energy levels is given for Lu-like tungsten (Z = 74). Comparisons are made with available experimental data. Trends of excitation energies including splitting of the doublet and quartet terms as functions of nuclear charge Z = 73–100 are illustrated graphically for some states. These are the first ab initio calculations of excitation energies in Lu-like ions. The results for the W3 + ion are particularly important for fusion application.
The unique atomic properties of samariumlike ions, not yet measured experimentally, are theoretically predicted and studied in this paper. Excitation energies, oscillator strengths, transition probabilities, and lifetimes are calculated for (5s2+5p2+5d2+5s5d+5s5g+5p5f)–(5s5p+5s5f+5p5d+5p5g) electric dipole transitions in Sm-like ions with nuclear charge Z ranging from 74 to 100. Relativistic many-body perturbation theory (RMBPT), including the Breit interaction, is used to evaluate retarded E1 matrix elements in length and velocity forms. The calculations start from a 1s22s22p63s23p63d104s24p64d104f14 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 matrix elements to achieve agreement between length-form and velocity-form amplitudes. The resulting transition energies and transition probabilities, and lifetimes for Sm-like W12+ are compared with results obtained by the relativistic Hartree-Fock approximation (cowan code) to estimate contributions of the 4f-core-excited states. Trends of excitation energies and oscillator strengths as the function of nuclear charge Z are shown graphically for selected states and transitions. This work provides a number of yet unmeasured atomic properties of these samariumlike ions for various applications and as a benchmark for testing theory.
The analysis of equilibrium conditions might be irrelevant to determine the importance of a certain set of atomic data. We show, that in non-equilibrium and optically thick plasmas intercombination transitions between highly excited states as well as higher order dielectronic satellite transitions are of extraordinary importance for diagnostics. In optically thin equilibrium plasmas, however, they are almost negligible. Numerical examples are presented for neutral helium in attached/detached plasmas as well as for dense laser produced plasmas.
