Energy levels and transition data of 3p63d8 and 3p53d9 configurations in Fe-like ions (Z = 57, 60, 62, 64, 65)

2021 ◽  
Author(s):  
Bao-Ling Shi ◽  
Yi Qin ◽  
Xiang-Fu Li ◽  
Bang-Lin Deng ◽  
Gang Jiang ◽  
...  
Keyword(s):  
Quantum Electrodynamics ◽  
Energy Levels ◽  
Oscillator Strengths ◽  
Atomic Data ◽  
Plasma Diagnostic ◽  
Astrophysical Plasmas ◽  
Hartree Fock ◽  
Relativistic Configuration ◽  
Transverse Photon ◽  
Relativistic Configuration Interaction

Abstract Atomic data of highly charged ions (HCIs) offer an attractive means for plasma diagnostic and stars identification, and the investigations on atomic data are highly desirable. Herein, based on the fully relativistic multi-configuration Dirac-Hartree-Fock (MCDHF) method, we have performed calculations of the fine structure energy levels, wavelengths, transition rates, oscillator strengths, and line strengths for the lowest 21 states of 3p63d8 - 3p53d9 electric dipole (E1) transitions configurations in Fe-like ions (Z = 57, 60, 62, 64, 65). The correlation effects of valence-valence (VV) and core-valence (CV) electrons were systematically considered. In addition, we have taken into account transverse-photon (Breit) interaction and quantum electrodynamics (QED) corrections to treat accurately the atomic state wave functions in the final relativistic configuration interaction (RCI) calculations. Our calculated energy levels and transition wavelengths are in excellent agreement with the available experimental and theoretical results. Most importantly, we predicted some new transition parameters that have not yet been reported. These data would further provide critical insights into better analyzing the physical processes of various astrophysical plasmas.

A study for hydrogen-like lawrencium

2018 ◽  
Vol 96 (12) ◽  
pp. 1359-1364
Author(s):  
Güldem Ürer
Keyword(s):  
Quantum Electrodynamics ◽  
Transition Probabilities ◽  
Energy Levels ◽  
Oscillator Strengths ◽  
Atomic Data ◽  
Hartree Fock ◽  
Atomic Structures ◽  
Transverse Photon ◽  
Qed Effects ◽  
Hydrogenic Ions

Studying hydrogenic ions with high Z is an occasion to understand atomic structure. It also provides a reliable test of methods used to determine atomic structures. Many fields and applications require precise atomic data. For this reason, a hydrogen-like study is performed for lawrencium (Lr102+, Z = 103). The energy levels of hydrogen-like lawrencium are calculated with both multiconfiguration Hartree–Fock (MCHF) and multiconfiguration Dirac–Fock (MCDF) methods. The calculations contain Breit–Pauli relativistic corrections in MCHF calculation and the transverse photon and quantum electrodynamics (QED) effects in MCDF calculation along with electron correlations. In addition, some transition parameters (wavelengths, λ, logarithmic weighted oscillator strengths, log(gf) value, and transition probabilities, Aki) for allowed (E1) and forbidden (E2 and M1) transitions are investigated. The results from this study are compared with only a few theoretical works, but there is no available experimental data yet for Lr102+.

scholarly journals Extended theoretical transition data in C i–iv

2021 ◽  
Vol 502 (3) ◽  
pp. 3780-3799
Author(s):  
W Li ◽  
A M Amarsi ◽  
A Papoulia ◽  
J Ekman ◽  
P Jönsson
Keyword(s):  
Transition Probabilities ◽  
Energy Levels ◽  
Oscillator Strengths ◽  
Atomic Data ◽  
Internal Validation ◽  
Hartree Fock ◽  
Relativistic Configuration ◽  
The Difference ◽  
The One ◽  
Relative Differences

ABSTRACT Accurate atomic data are essential for opacity calculations and for abundance analyses of the Sun and other stars. The aim of this work is to provide accurate and extensive results of energy levels and transition data for C i–iv. The Multiconfiguration Dirac–Hartree–Fock and relativistic configuration interaction methods were used in this work. To improve the quality of the wavefunctions and reduce the relative differences between length and velocity forms for transition data involving high Rydberg states, alternative computational strategies were employed by imposing restrictions on the electron substitutions when constructing the orbital basis for each atom and ion. Transition data, for example, weighted oscillator strengths and transition probabilities, are given for radiative electric dipole (E1) transitions involving levels up to 1s22s22p6s for C i, up to 1s22s27f for C ii, up to 1s22s7f for C iii, and up to 1s28g for C iv. Using the difference between the transition rates in length and velocity gauges as an internal validation, the average uncertainties of all presented E1 transitions are estimated to be 8.05 per cent, 7.20 per cent, 1.77 per cent, and 0.28 per cent, respectively, for C i–iv. Extensive comparisons with available experimental and theoretical results are performed and good agreement is observed for most of the transitions. In addition, the C i data were employed in a re-analysis of the solar carbon abundance. The new transition data give a line-by-line dispersion similar to the one obtained when using transition data that are typically used in stellar spectroscopic applications today.

scholarly journals Theoretical investigation of energy levels and transition data for S II, Cl III, Ar IV

2019 ◽  
Vol 623 ◽  
pp. A155 ◽  
Author(s):  
P. Rynkun ◽  
G. Gaigalas ◽  
P. Jönsson
Keyword(s):  
Energy Levels ◽  
Electric Quadrupole ◽  
General Purpose ◽  
Energy Spectra ◽  
Astrophysical Plasmas ◽  
Internal Validation ◽  
Hartree Fock ◽  
Self Energy ◽  
Relativistic Configuration ◽  
Relativistic Configuration Interaction

Aims. The aim of this work is to present accurate and extensive results of energy spectra and transition data for the S II, Cl III, and Ar IV ions. These data are useful for understanding and probing physical processes and conditions in various types of astrophysical plasmas.Methods. The multiconfiguration Dirac–Hartree–Fock (MCDHF) and relativistic configuration interaction (RCI) methods, which are implemented in the general-purpose relativistic atomic structure package GRASP2K, are used in the present work. In the RCI calculations the transverse-photon (Breit) interaction, the vacuum polarization, and the self-energy corrections are included.Results. Energy spectra are presented comprising the 134, 87, and 103 lowest states in S II, Cl III, and Ar IV, respectively. Energy levels are in very good agreement with NIST database recommended values and associated with smaller uncertainties than energies from other theoretical computations. Electric dipole (E1), magnetic dipole (M1), and electric quadrupole (E2) transition data are computed between the above states together with the corresponding lifetimes. Based on internal validation, transition rates for the majority of the stronger transitions are estimated to have uncertainties of less than 3%.

Multiconfigurational Dirac–Fock atomic structure calculations for Cl-like tungsten

2014 ◽  
Vol 92 (3) ◽  
pp. 177-183 ◽  
Author(s):  
Man Mohan ◽  
Sunny Aggarwal ◽  
Narendra Singh
Keyword(s):  
Quantum Electrodynamics ◽  
Transition Probabilities ◽  
Energy Levels ◽  
Theoretical Data ◽  
Oscillator Strengths ◽  
Atomic Data ◽  
Plasma Diagnostic ◽  
Fusion Plasma ◽  
Atomic Structure Calculations ◽  
Structure Calculations

Energy levels, lifetimes, and wavefunction compositions have been calculated for all levels of odd parity 3s23p5 ground configuration as well as 3s3p6 and 3s23p43d even parity excited configurations in highly charged Cl-like tungsten ion. Transition probabilities, oscillator strengths, and line strengths for E1, E2, M1, and M2 transitions have been obtained using the fully relativistic multiconfiguration Dirac–Fock (MCDF) approach including the correlations within the n = 3 complex, some n = 3 → n = 4 single and double excitations and Breit and quantum electrodynamics effects. For comparison from our calculated energy levels, we have also calculated the energy levels by using the fully relativistic flexible atomic code (FAC). The validity of the method is assessed by comparison with previously published experimental and theoretical data. The excellent agreement observed between our calculated results and those obtained using different approaches confirm the accuracy of our results. Additionally, we have predicted some new atomic data for W57+ that are not available so far and may be important for plasma diagnostic analysis in fusion plasma.

Allowed and forbidden transition rates and corresponding wavelengths for Si-like Au ion (Au65+) by relativistic configuration interaction method

2018 ◽  
Vol 96 (10) ◽  
pp. 1116-1137
Author(s):  
S.M. Hamasha ◽  
A. Almashaqba
Keyword(s):  
Configuration Interaction ◽  
Energy Levels ◽  
Theoretical Data ◽  
Oscillator Strengths ◽  
Atomic Data ◽  
Transition Rates ◽  
Interaction Method ◽  
Configuration Interaction Method ◽  
Relativistic Configuration ◽  
Relativistic Configuration Interaction

Large-scale atomic calculations are carried out to produce data of atomic structure and transitions rates for Si-like Au ion (Au65+). Generated atomic data are essential for modeling of M-shell spectra of gold ions in Au plasma, and fusion research. Energy levels are calculated by applying two methods: the relativistic configuration interaction method (RCI) of the flexible atomic code (FAC) and the multi-reference many body perturbation theory method (MR-MBPT). Energy levels, oscillator strengths, and transition rates are calculated for transitions between excited and ground states from n = 3l to n′l′, where n′ = 4, 5, 6, and 7; and l and l′ are the proper angular momenta of shells n and n′, respectively. The electric dipole (E1), electric quadrupole (E2), electric octupole (E3), magnetic dipole (M1), magnetic quadrupole (M2), and magnetic octupole (M3) transitions are all considered in the calculations. Correlation effects, relativistic effects, and QED effects are also included in the calculations. The two methods yield comparable values of energy levels. Data of energy levels of low-lying states and data for inner shell transitions reported in this study demonstrate good agreement with published experimental and theoretical data.

scholarly journals Fine-structure energy levels and radiative rates in Al-like molybdenum

2017 ◽  
Vol 95 (1) ◽  
pp. 59-64 ◽  
Author(s):  
Feng Hu ◽  
Yan Sun ◽  
Meifei Mao
Keyword(s):  
Configuration Interaction ◽  
Quantum Electrodynamics ◽  
Transition Probabilities ◽  
Energy Levels ◽  
Ground Level ◽  
Hartree Fock ◽  
Relativistic Configuration ◽  
Relativistic Configuration Interaction ◽  
Configuration Interaction Calculations ◽  
Good Agreement

Based on relativistic wavefunctions from multiconfigurational Dirac–Hartree–Fock and configuration interaction calculations, energy levels, radiative rates, and wavelengths are evaluated for all levels of 3s23p, 3s3p2, 3s23d, 3p3, 3s3p3d, 3p23d, and 3s3d2 configurations of Al-like molybdenum ion (Mo XXX). Transition probabilities are reported for E1 and M2 transitions from the ground level. The valence–valence and core–valence correlation effects are accounted for in a systematic way. Breit interactions and quantum electrodynamics effects are estimated in subsequent relativistic configuration interaction calculations. Comparisons are made with the available data in the literature and good agreement has been found, which confirms the reliability of our results.

scholarly journals Theoretical investigation of energy levels and transition data for P II

2019 ◽  
Vol 622 ◽  
pp. A167 ◽  
Author(s):  
P. Rynkun ◽  
L. Radžiūtė ◽  
G. Gaigalas ◽  
P. Jönsson
Keyword(s):  
Energy Levels ◽  
General Purpose ◽  
Transition Energies ◽  
Hartree Fock ◽  
Self Energy ◽  
Relativistic Configuration ◽  
Transverse Photon ◽  
Experimental Values ◽  
Relativistic Configuration Interaction ◽  
Average Uncertainty

Aims. The main goal of this paper is to present accurate and extensive transition data for the P II ion. These data are useful in various astrophysical applications. Methods. The multiconfiguration Dirac–Hartree–Fock (MCDHF) and relativistic configuration interaction (RCI) methods, which are implemented in the general-purpose relativistic atomic structure package GRASP2K, were used in the present work. In the RCI calculations the transverse-photon (Breit) interaction, the vacuum polarization, and the self-energy corrections were included. Results. Energy spectra are presented for 48 even states of the 3s23p2, 3s23p{4p, 4f, 5p, 5f, 6p}, 3s3p23d configurations, and for 58 odd states of the 3s3p3, 3s23p{3d, 4s, 4d, 5s, 5d, 6s} configurations in the P II ion. Electric dipole (E1) transition data are computed between these states along with the corresponding lifetimes. The average uncertainty of the computed transition energies is between five and ten times smaller than the uncertainties from previous calculations. The computed lifetimes for the 3s23p4s3Po states are within the error bars of the most current experimental values.

scholarly journals Extended transition rates and lifetimes in Al I and Al II from systematic multiconfiguration calculations

2018 ◽  
Vol 621 ◽  
pp. A16 ◽  
Author(s):  
A. Papoulia ◽  
J. Ekman ◽  
P. Jönsson
Keyword(s):  
Infrared Region ◽  
Atomic Data ◽  
State Function ◽  
Excitation Energies ◽  
Hartree Fock ◽  
Nist Database ◽  
Relativistic Configuration ◽  
Electron Correlation Effects ◽  
Relativistic Configuration Interaction ◽  
New Generation

MultiConfiguration Dirac-Hartree-Fock (MCDHF) and relativistic configuration interaction (RCI) calculations were performed for 28 and 78 states in neutral and singly ionized aluminium, respectively. In Al I, the configurations of interest are 3s2nl for n = 3, 4, 5 with l = 0 to 4, as well as 3s3p2 and 3s26l for l = 0, 1, 2. In Al II, in addition to the ground configuration 3s2, the studied configurations are 3snl with n = 3 to 6 and l = 0 to 5, 3p2, 3s7s, 3s7p, and 3p3d. Valence and core-valence electron correlation effects are systematically accounted for through large configuration state function (CSF) expansions. Calculated excitation energies are found to be in excellent agreement with experimental data from the National Institute of Standards and Technology (NIST) database. Lifetimes and transition data for radiative electric dipole (E1) transitions are given and compared with results from previous calculations and available measurements for both Al I and Al II. The computed lifetimes of Al I are in very good agreement with the measured lifetimes in high-precision laser spectroscopy experiments. The present calculations provide a substantial amount of updated atomic data, including transition data in the infrared region. This is particularly important since the new generation of telescopes are designed for this region. There is a significant improvement in accuracy, in particular for the more complex system of neutral Al I. The complete tables of transition data are available at the CDS.

Benchmarking Multiconfiguration Dirac–Hartree–Fock Calculations for Astrophysics: Si-like Ions from Cr xi to Zn xvii

2021 ◽  
Vol 257 (2) ◽  
pp. 56
Author(s):  
X. H. Zhang ◽  
G. Del Zanna ◽  
K. Wang ◽  
P. Rynkun ◽  
P. Jönsson ◽  
...  
Keyword(s):  
Line Strength ◽  
Estimation Method ◽  
Radiative Transition ◽  
Atomic Data ◽  
Excitation Energies ◽  
Data Set ◽  
Hartree Fock ◽  
Relativistic Configuration ◽  
Experimental Values ◽  
Relativistic Configuration Interaction

Abstract The multiconfiguration Dirac–Hartree–Fock (MCDHF) and relativistic configuration interaction methods are used to provide excitation energies, lifetimes, and radiative transition data for the 604 (699, 702, 704, 704, 704, and 699) lowest levels of the 3s 23p 2, 3s3p 3, 3s 23p3d, 3p 4, 3s3p 23d, 3s 23d 2, 3p 33d, 3s3p3d 2, 3s3d 3, 3p3d 3, 3p 23d 2, 3s 23p4s, 3s 23p4p, 3s 23p4d, 3s 23p4f, 3s3p 24s, 3s3p 24p, 3s3p 24d, 3s3p 24f, 3s 23d4s, 3s 23d4p, 3p 34s, 3p 34p, 3s3p3d4s, 3s 23p5s, and 3s 23p5p configurations in Cr xi, (Mn xii, Fe xiii, Co xiv, Ni xv, Cu xvi, and Zn xvii). Previous line identifications of Fe xiii and Ni xv in the EUV and X-ray wavelength ranges are reviewed by comprehensively comparing the MCDHF theoretical results with available experimental data. Many recent identifications of Fe xiii and Ni xv lines are confirmed, and several new identifications for these two ions are proposed. A consistent atomic data set with spectroscopic accuracy is provided for the lowest hundreds of levels for Si-like ions of iron-group elements of astrophysical interest, for which experimental values are scarce. The uncertainty estimation method suggested by Kramida, applied to the comparison of the length and velocity line strength values, is used for ranking the transition data. The correlation of the latter with the gauge dependency patterns of the line strengths is investigated.

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