Multiconfiguration Dirac–Hartree–Fock calculations of energy levels, wavelengths, weighted oscillator strengths, transitions probabilities and lifetimes of Cd XLVII

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Dhia Elhak Salhi ◽  
Soumaya Manai ◽  
Sirine Ben Nasr ◽  
Haikel Jelassi
Keyword(s):  
Missing Data ◽  
Quantum Electrodynamics ◽  
Transition Probabilities ◽  
Energy Levels ◽  
Oscillator Strengths ◽  
Accurate Data ◽  
Cadmium Ion ◽  
Hartree Fock ◽  
First Time ◽  
Good Agreement

Abstract Energy levels, wavelengths, weighted oscillator strengths, transition probabilities and lifetimes are calculated for all levels of 1s 2 and 1snl (n = 2–6) configurations of He-like cadmium ion (Cd XLVII). The calculations were carried out using three codes GRASP2018, FAC and AMBiT in order to provide theoretically the most accurate data. Transition probabilities are reported for all the E1, E2, M1 and M2 transitions. Breit interactions and quantum electrodynamics effects are included in the RCI calculations. Comparisons were made with other calculations and a good agreement was found which confirms the reliability of our results. We present some missing data for the He-like cadmium in this paper for the first time.

scholarly journals Transition spectral parameters of In-like Ba, La and Ce ions

2021 ◽  
Author(s):  
Miao Wu ◽  
Zhencen He
Keyword(s):  
Quantum Electrodynamics ◽  
Transition Probabilities ◽  
Energy Levels ◽  
Oscillator Strengths ◽  
Spectral Parameters ◽  
Hartree Fock ◽  
Experimental Values ◽  
Theoretical Results ◽  
Good Agreement ◽  
Line Strengths

The spectral parameters (energy levels, wavelengths, transition probabilities, line strengths and oscillator strengths) of resonance lines for Ba VIII, La IX and Ce X have been performed using the multiconfiguration Dirac-Hartree-Fock method, the contributions of quantum electrodynamics and Breit interactions correction are taken into considered. The calculated results of energy levels and wavelengths are in good agreement with experimental values and other calculation. The number of energy levels and wavelengths considered is larger than that of any other experiment values and other calculations. The transition probabilities, line strengths and oscillator strengths are also calculated where no other theoretical results and experimental values are available.

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 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.

Oscillator strengths and transition probabilities for singly ionized terbium

2014 ◽  
Vol 92 (9) ◽  
pp. 1043-1046 ◽  
Author(s):  
Şule Ateş ◽  
Yasin Gökçe ◽  
Gültekin Çelik ◽  
Murat Yıldız
Keyword(s):  
Transition Probabilities ◽  
Energy Levels ◽  
Electric Dipole Transition ◽  
Oscillator Strengths ◽  
Coupling Scheme ◽  
Heavy Atoms ◽  
Wbepm Theory ◽  
First Time ◽  
Bound Electron ◽  
Good Agreement

Electric dipole transition probabilities and oscillator strengths for singly ionized terbium (Tb II) have been calculated with the weakest bound electron potential model (WBEPM) theory using experimental energy levels and theoretical expectation values of orbital radii corresponding to those energy levels under the assumption of the Jj coupling scheme. The transition probabilities and the oscillator strengths calculated have been compared with available data in the literature. A good agreement has been obtained. In this work, the WBEPM theory has been applied to heavy atoms, such as Tb II, for the first time.

Energy levels and spectral lines for Ge-like Zr, Nb and Tc ions

2020 ◽  
Author(s):  
Miao Wu ◽  
Zhen-Cen He
Keyword(s):  
Quantum Electrodynamics ◽  
Transition Probabilities ◽  
Theoretical Calculations ◽  
Energy Levels ◽  
Spectral Lines ◽  
Oscillator Strengths ◽  
Hartree Fock ◽  
Experimental Values ◽  
Theoretical Results ◽  
Line Strengths

The energy levels, transition probabilities, oscillator strengths, line strengths and wavelengths of Ge-like Zr, Nb and Tc ions have been calculated using the multiconfiguration Dirac-Hartree-Fock method. The Breit interactions and quantum electrodynamics correction were taken into account. The calculated values of energy levels and wavelengths have been compared with other theoretical calculations and available experimental values, good agreements are achieved for most of the energy levels and wavelengths calculated. The number of energy levels and wavelengths considered is larger than that of any other theoretical calculations. And the transition probabilities, line strengths are also given where no other theoretical results and experimental values are available.

Studies of energy levels, hyperfine structure, and transition probabilities for neutral silicon

2016 ◽  
Vol 94 (4) ◽  
pp. 359-364 ◽  
Author(s):  
Miao Wu ◽  
Guojie Bian ◽  
Xiangfu Li ◽  
Min Xu ◽  
Quanping Fan ◽  
...  
Keyword(s):  
Hyperfine Structure ◽  
Quantum Electrodynamics ◽  
Transition Probabilities ◽  
Theoretical Calculations ◽  
Energy Levels ◽  
Structure Constant ◽  
Hartree Fock ◽  
Hyperfine Structure Constant ◽  
Experimental Values ◽  
Good Agreement

The multi-configuration Dirac–Hartree–Fock method and active space approach are used to investigate the energy levels, hyperfine structure constants, and transition probabilities of a neutral silicon atom. The contributions of Breit interactions and quantum electrodynamics correction are considered. Compared with other theoretical and experimental values of energy levels, our values are in good agreement; the discrepancies of the majority of energy levels calculated are within 1% of experimental values, and the energy levels calculated are very close to other theoretical values. The number of energy levels we considered is larger than that of any other theoretical calculations. The values of the hyperfine structure constant A of the radioactive 29Si atom that we calculated are in good agreement with experimental values. From these results we can predict the hyperfine structure constant A of other states of 29Si where no other theoretical results are available. The transition probabilities of neutral silicon have also been calculated and discussed.

scholarly journals New Transition and Energy Levels of Three-Times Ionized Krypton (Kr IV)

Atoms ◽  
2021 ◽  
Vol 9 (3) ◽  
pp. 48
Author(s):  
M. Raineri ◽  
M. Gallardo ◽  
J. Reyna Almandos ◽  
A. G. Trigueiros ◽  
C. J. B. Pagan
Keyword(s):  
Transition Probabilities ◽  
Energy Levels ◽  
Pulsed Discharge ◽  
Core Polarization ◽  
Polarization Effects ◽  
Hartree Fock ◽  
Theta Pinch ◽  
New Energy ◽  
First Time

A capillary pulsed-discharge and a theta-pinch were used to record Kr spectra in the region of 330–4800 Å. A set of 168 transitions of these spectra were classified for the first time. We extended the analysis to twenty-five new energy levels belonging to 3s23p24d, 3s23p25d even configurations. We calculated weighted transition probabilities (gA) for all of the experimentally observed lines and lifetimes for new energy levels using a relativistic Hartree–Fock method, including core-polarization effects.

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 Transition Parameters for Doubly Ionized Lanthanum

2012 ◽  
Vol 2012 ◽  
pp. 1-15 ◽  
Author(s):  
Betül Karaçoban ◽  
Leyla Özdemir
Keyword(s):  
Least Squares ◽  
Configuration Interaction ◽  
Electric Dipole ◽  
Transition Probabilities ◽  
Energy Levels ◽  
Relativistic Effects ◽  
Oscillator Strengths ◽  
Least Squares Fitting ◽  
Hartree Fock

The transition parameters such as the wavelengths, weighted oscillator strengths, and transition probabilities (or rates) for the nd (n=5−9)−nf (n=4−8), nd (n=5−9)−np (n=6−9), np (n=6−9)−ns (n=6−10), and ng (n=5−8)−nf (n=4−8) electric dipole (E1) transitions of doubly ionized lanthanum (La III, Z=57) have been calculated using the relativistic Hartree-Fock (HFR) method. In this method, configuration interaction and relativistic effects have been included in the computations combined with a least squares fitting of the Hamiltonian eigenvalues to the observed energy levels. We have compared the results obtained from this work with the previously available calculations and experiments in literature. We have also reported new transitions with the weighted transition probabilities greater than or equal to 105.

scholarly journals Extended Analysis of Ar III and Ar IV

Atoms ◽  
2018 ◽  
Vol 6 (3) ◽  
pp. 47 ◽  
Author(s):  
Mónica Raineri ◽  
Roberto Mejia Castellanos ◽  
Mario Gallardo ◽  
Jorge Reyna Almandos
Keyword(s):  
Light Source ◽  
Transition Probabilities ◽  
Energy Levels ◽  
Pulsed Discharge ◽  
Hartree Fock ◽  
New Energy ◽  
Extended Analysis ◽  
First Time

A pulsed discharge light source was used to study the two and three times ionized argon (Ar II, Ar III) spectra in the 480–6218 Å region. A set of 129 transitions of Ar III and 112 transitions of Ar IV were classified for the first time. We extended the analysis of Ar III to five new energy levels belonging to 3s23p34d, 3s23p35s odd configurations. For Ar IV, 10 new energy levels of the 3s23p23d and 3s23p24p even and odd configurations, respectively, are presented. For the prediction of energy levels, line transitions, and transition probabilities, relativistic Hartree–Fock calculations were used.

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