The fully relativistic multiconfiguration Dirac--Hartree--Fock method is used to compute excitation energies and lifetimes for the 143 lowest states of the $3s^23p^3$, $3s3p^4$, $3s^23p^23d$, $3s3p^33d$, $3p^5$, $3s^23p3d^2$ configurations in P-like ions from Cr X to Zn XVI. Multipole (E1, M1, E2, M2) transition rates, line strengths, oscillator strengths, and branching fractions among these states are also given. Valence-valence and core-valence electron correlation effects are systematically accounted for using large basis function expansions. Computed excitation energies are compared with the NIST ASD and CHIANTI compiled values and previous calculations. The mean average absolute difference, removing obvious outliers, between computed and observed energies for the 41 lowest identified levels in Fe XII is only 0.057 \%, implying that the computed energies are accurate enough to aid identification of new emission lines from the sun and other astrophysical sources. The amount of energy and transition data of high accuracy is significantly increased for several P-like ions of astrophysics interest, where experimental data are still very scarce.
Large-scale calculations of atomic structures and radiative properties have been carried out for singly, doubly- and trebly ionized cerium. For this purpose, the purely relativistic multiconfiguration Dirac-Hartree-Fock (MCDHF) method was used, taking into account the effects of valence-valence and core-valence electronic correlations in detail. The results obtained were then used to calculate the expansion opacities characterizing the kilonovae observed as a result of neutron star mergers. Comparisons with previously published experimental and theoretical studies have shown that the results p…
Using the multiconfiguration Dirac-Hartree-Fock (MCDHF) and the relativistic configuration interaction (RCI) methods, a consistent set of transition energies and radiative transition data for the lowest 150 states of the $3s^2 3p^3$, $3s 3p^4$, $3s^2 3p^2 3d$, $3s 3p^3 3d$, $3p^5$, and $3s^2 3p 3d^2$ configurations in P-like Ge XVIII is provided. To assess the accuracy of the MCDHF transition energies, we have also performed calculations using the many-body perturbation theory (MBPT). Comparisons are made between the present MCDHF and MBPT data sets, as well as with other available experimenta…
Using the multiconfiguration Dirac-Hartree-Fock and the relativistic configuration interaction methods, a consistent set of transition energies and radiative transition data for the main states of the $2s^2 2p^4$, $2s 2p^5$, $2p^6$, $2s^2 2p^3 3s$, $2s^2 2p^3 3p$, $2s^2 2p^3 3d$, $2s 2p^4 3s$, $2s 2p^4 3p$, and $2s 2p^4 3d$ configurations in O-like Ions between Ar XI ($Z = 18$) and Cr XVII ($Z = 24$) is provided. Our data set is compared with the NIST compiled values and previous calculations. The data are accurate enough for identification and deblending of new emission lines from hot astroph…
Aims. In the context of accretion disks around black holes, we estimate plasma-environment effects on the atomic parameters associated with the decay of K-vacancy states in highly charged iron ions, namely Fe xvii - Fe xxv. Methods. Within the relativistic multiconfiguration Dirac-Fock (MCDF) framework, the electron-nucleus and electron-electron plasma screenings are approximated with a time-averaged Debye-Huckel potential. Results. Modified ionization potentials, K thresholds, wavelengths, radiative emission rates and Auger widths are reported for astrophysical plasmas characterized by electr…
The wavelength and rate of the $5p-5s$ transition of W XIV - W XVI ions have been calculated by the relativistic configuration interaction (RCI) method with the implementation of Flexible Atomic code (FAC). A reasonable collisional-radiative model (CRM) has been constructed to simulate the $5p - 5s$ transition spectrum of W XIV - W XVI ions which had been observed in electron beam ion trap (EBIT) device. The results are in reasonable agreement with the available experimental and theoretical data, and might be applied to identify the controversial spectra. The confusion on the assignment of the…
We use the multiconfiguration Dirac-Hartree-Fock (MCDHF) method combined with the relativistic configuration interaction (RCI) approach (GRASP2K) to provide a consistent set of transition energies and radiative transition data for the lower $n =3$ states in all Cl-like ions of astrophysical importance, from \ion{Cr}{8} to \ion{Zn}{14}. We also provide excitation energies calculated for \mbox{Fe X} using the many-body perturbation theory (MBPT, implemented within FAC). The comparison of the present MCDHF results with MBPT and with the available experimental energies indicates that the theoretic…
We investigated experimentally and theoretically dielectronic recombination (DR) populating doubly excited configurations $3l3l'$ (LMM) in Fe XVII, the strongest channel for soft X-ray line formation in this ubiquitous species. We used two different electron beam ion traps and two complementary measurement schemes for preparing the Fe XVII samples and evaluating their purity, observing negligible contamination effects. This allowed us to diagnose the electron density in both EBITs. We compared our experimental resonant energies and strengths with those of previous independent work at a storage…
Aims. In the context of black-hole accretion disks, we aim to compute the plasma-environment effects on the atomic parameters used to model the decay of K-vacancy states in moderately charged iron ions, namely Fe ix - Fe xvi. Methods. We used the fully relativistic multiconfiguration Dirac-Fock (MCDF) method approximating the plasma electron-nucleus and electron-electron screenings with a time-averaged Debye-Huckel potential. Results. We report modified ionization potentials, K-threshold energies, wavelengths, radiative emission rates, and Auger widths for plasmas characterized by electron tem…
We present version 10 of the CHIANTI package. In this release, we provide updated atomic models for several helium-like ions and for all the ions of the beryllium, carbon and magnesium isoelectronic sequences that are abundant in astrophysical plasmas. We include rates from large-scale atomic structure and scattering calculations that are in many cases a significant improvement over the previous version, especially for the Be-like sequence, which has useful line diagnostics to measure the electron density and temperature. We have also added new ions and updated several of them with new atomic …
Using the multiconfiguration Dirac-Hartree-Fock and the relativistic configuration interaction methods, a consistent set of transition energies and radiative transition data for the lowest 546 (623, 701, 745) states of the $3p^4 3d$, $3s 3p^2 3d^2$, $3s 3p^3 4p$, $3s 3p^4$, $3s^2 3d^3$, $3s^2 3p^2 3d$, $3s^2 3p^2 4d$, $3s^2 3p^2 4s$, $3p^3 3d^2$, $3p^5$, $3s 3p 3d^3$, $3s 3p^3 3d$, $3s 3p^3 4s$, $3s^2 3p 3d^2$, %$3s^2 3p^2 4f$, $3s^2 3p^2 4p$, $3s^2 3p^3$ configurations in Mn~XI (Fe~XII, Co~XIII, Ni~XIV) is provided. The comparison between calculated excitation energies for the $n=4$ states an…
Relativistic correlation correction to the binding energies of the ground configuration of Beryllium-like, Neon-like, Magnesium-like and Argon-like ions
Aims. In the context of black-hole accretion disks, the main goal of the present study is to estimate the plasma environment effects on the atomic structure and radiative parameters associated with the K-vacancy states in ions of the oxygen isonuclear sequence. Methods. We use a time-averaged Debye-Huckel potential for both the electron-nucleus and the electron-electron interactions implemented in the fully relativistic multiconfiguration Dirac-Fock (MCDF) method. Results. Modified ionization potentials, K thresholds, Auger widths and radiative transition wavelengths and rates are reported for…
Large-scale self-consistent multiconfiguration Dirac--Hartree--Fock and relativistic configuration interaction calculations are reported for the $n \leq 6$ levels in Be-like ions from B II to Ne VII. Effects from electron correlation are taken into account by means of large expansions in terms of a basis of configuration state functions, and a complete and accurate data set of excitation energies, lifetimes, wavelengths, and electric dipole, magnetic dipole, electric quadrupole, and magnetic quadrupole line strengths, transition rates, and oscillator strengths for these levels is provided for …
The magnetic dipole (M1) line strength between the fine-structure levels of the ground configurations in B-, F-, Al- and Cl-like ions are calculated for the four elements argon, iron, molybdenum and tungsten. Systematically enlarged multiconfiguration Dirac-Hartree-Fock~(MCDHF) wave functions are employed to account for the interelectronic interaction with the Breit interaction included in first-order perturbation theory. The QED corrections are evaluated to all orders in $αZ$ utilizing an effective potential approach. The calculated line strengths are compared with the results of other theori…
The multiconfiguration Dirac-Hartree-Fock theory is used to calculate the 3d9 2D3/2 - 2D5/2 transition energy for Co-like ions with Z = 28-100. We investigate how electron correlation, frequency-independent and -dependent Breit interactions, as well as QED corrections, vary along the sequence. The well-understood frequency-independent Breit contribution has the largest contribution for all ions. Among the corrections to this, correlation decreases rapidly with Z, the frequency-dependent Breit contribution is important especially for high-Z ions, and the self-energy contribution to the QED beco…
The atomic states of the W IX (W8+) tungsten ion lying below the W9+ ionisation threshold have been studied theoretically, employing the multiconfiguration Dirac-Hartree-Fock method with configuration interaction. The level electronic structures and their energies are presented. The electric dipole (E1), magnetic dipole (M1), electric quadrupole (E2), and magnetic quadrupole (M2) radiative transitions have been computed in order to calculate the radiative lifetimes of given states. Transition wavelengths, energies, and decay rates are also presented for selected high-intensity E1 transitions. …
We study static-field ionization of He-like ions with nuclear charge number in the range of $2\le Z \le 36$. Both the tunneling and over-the-barrier regimes are considered. We calculate the ionization rates by three approximate methods: a fitting formula based on the Perelemov-Popov-Terent'ev (PPT) formula, a perturbative expansion in powers of $1/Z$, and a single-active electron approximation, and compare them with reference ionization rates computed by the multiconfiguration time-dependent Hartree-Fock (MCTDHF) approach. The relative deviation of the rates computed by the PPT-based fitting f…
我们提出了一个理论研究的双电子复合（DR）的Ar类离子，揭示了新的光的速率系数的行为在低温下，这些离子形成的光电离等离子体。我们提供的总的和部分麦克斯韦平均DR率系数从K II -锌XIII离子的初始基态的结果。预计这些新的结果将提高类Ar M壳层离子电离平衡的准确性，并为天体物理相关X射线吸收特征的详细建模铺平道路。我们利用AUTOSTRUCTURE计算程序获得了目标离子的准确的核心激发阈值，并在独立过程、孤立共振、扭曲波（IPIRDW）近似下对DR截面进行了多组态Breit-Pauli（MCBP）计算。我们的研究结果调解完全没有直接DR计算某些类Ar离子和现有的经验速率公式的可靠性，往往推断出在此等电子序列的重整化数据的问题。
In this work, visible and extreme ultraviolet spectra of W7+ are measured using the high-temperature superconducting electron-beam ion trap (EBIT) at the Shanghai EBIT Laboratory under extremely low-energy conditions (lower than the nominal electron-beam energy of 130 eV). The relevant atomic structure is calculated using the flexible atomic code package based on the relativistic configuration interaction method. The GRASP2K code, in the framework of the multiconfiguration Dirac-Hartree-Fock method, is employed as well for calculating the wavelength of the M1 transition in the ground configura…
We performed a reference-free measurement of the transition energies of the $1s 2p\,^1P\_1\to 1s^2 \,^1S\_0$ line in He-like argon, and of the $1s 2s^2 2p\,^1P\_1\to 1s^2 2s^2\,^1S\_0$ line in Be-like argon ions. The highly-charged ions were produced in the plasma of an Electron-Cyclotron Resonance Ion Source. Both energy measurements were performed with an accuracy better than 3 parts in $10^6$, using a double flat-crystal spectrometer, without reference to any theoretical or experimental energy. The $1s 2s^2 2p\,^1P\_1\to 1s^2 2s^2\,^1S\_0$ transition measurement is the first reference-free …
Relativistic Calculation of Energies, Transition Parameters Hyperfine Structure, Landé g$_J$ and Isotope shifts factors for Ar$^{7+}$, Kr$^{25+}$ and Xe$^{43+}$ ions
Relative cross sections for $m$-fold photoionization ($m=1,\ldots,5$) of Fe$^{3+}$ by single photon absorption were measured employing the photon-ion merged-beams setup PIPE at the PETRA III synchrotron light source operated at DESY in Hamburg, Germany. The photon energies used spanned the range of $680-950\,\mathrm{eV}$, covering both the photoexcitation resonances from the $2p$ and $2s$ shells as well as the direct ionization from both shells. Multiconfiguration Dirac-Hartree-Fock (MCDHF) calculations were performed to simulate the total photoexcitation spectra. Good agreement was found with…
Coalescence of binary neutron star give rise to electromagnetic emission, kilonova, powered by radioactive decays of r-process nuclei. Observations of kilonova associated with GW170817 provided unique opportunity to study the heavy element synthesis in the Universe. However, atomic data of r-process elements to decipher the light curves and spectral features of kilonova are not fully constructed yet. In this paper, we perform extended atomic calculations of neodymium (Nd, Z=60) to study the impact of accuracies in atomic calculations to the astrophysical opacities. By employing multiconfigurat…
Theoretical study on the hyperfine interaction constants and the isotope shift factors for the $3s^2~^1 S_{ 0} ~-~ 3s3p~^{3,1}P^o_1$ transitions in Al$^+$
用多组态Dirac-Hartree-Fock方法计算了Al $^+$离子3s 3 p $^{3,1}P^o_1$态的磁偶极和电四极超精细相互作用常数，以及从这两个态到基态3s $^2~^1S_0$跃迁的同位素位移因子，包括质量和场位移因子.基于活性空间方法，详细研究了电子关联和Breit相互作用对这些物理量的影响。计算结果表明，CC和高阶关联对于评价原子参数的不确定度是相当重要的。超精细相互作用常数的不确定度小于1.5%.虽然同位素位移因子对电子关联高度敏感，但通过探索电子关联的影响，获得了合理的不确定性。此外，我们还发现Al $^{+}$的质量移动因子的相对论核反冲修正很小，对电子关联不敏感。这些原子参数对提取Al同位素的核电四极矩和均方电荷半径具有重要的参考价值。
Lanthanide elements play important roles as an opacity source in the ejected material from neutron star mergers. Accurate and complete atomic data are necessary to evaluate the opacities and to analyze the observed data. In this paper, we perform extended, ab-initio atomic calculations from Pr II (Z=59) to Gd II (Z=64). By using multiconfiguration Dirac-Hartree-Fock and relativistic configuration-interaction methods, implemented in the general-purpose relativistic atomic structure package GRASP2K, we calculate the energy levels and transition data of electric dipole transitions. These computat…
