{"title":"Experimental K-shell fluorescence cross sections for elements in the atomic number range 16 ≤ Z ≤ 92 by photon impact at various energies","authors":"","doi":"10.1016/j.adt.2024.101662","DOIUrl":"10.1016/j.adt.2024.101662","url":null,"abstract":"<div><p>The main purpose of this paper is to collect from various sources over 3300 experimental values of K-shell fluorescence cross sections (<span><math><msub><mi>σ</mi><msub><mi>K</mi><msub><mi>β</mi><mrow><mn>1</mn><mo>,</mo><mn>3</mn></mrow></msub></msub></msub></math></span><em>,</em><span><math><mrow><msub><mi>σ</mi><msub><mi>K</mi><msub><mi>β</mi><mrow><mn>2</mn><mo>,</mo><mn>4</mn></mrow></msub></msub></msub><mo>,</mo><msub><mi>σ</mi><msub><mi>K</mi><msub><mi>α</mi><mn>1</mn></msub></msub></msub><mo>,</mo><msub><mi>σ</mi><msub><mi>K</mi><msub><mi>α</mi><mn>2</mn></msub></msub></msub><mo>,</mo><msub><mi>σ</mi><msub><mi>K</mi><msub><mi>β</mi><mn>1</mn></msub></msub></msub><mo>,</mo><msub><mi>σ</mi><msub><mi>K</mi><msub><mi>β</mi><mn>2</mn></msub></msub></msub><mo>,</mo><msub><mi>σ</mi><msub><mi>K</mi><msub><mrow><msup><mi>β</mi><mo>′</mo></msup></mrow><mn>1</mn></msub></msub></msub><mo>,</mo><mspace></mspace><msub><mi>σ</mi><msub><mi>K</mi><msub><mrow><msup><mi>β</mi><mo>′</mo></msup></mrow><mn>2</mn></msub></msub></msub><mo>,</mo><mspace></mspace><msub><mi>σ</mi><msub><mi>K</mi><mi>α</mi></msub></msub><mo>,</mo><msub><mi>σ</mi><msub><mi>K</mi><mi>β</mi></msub></msub></mrow></math></span> and <span><math><msub><mi>σ</mi><msub><mi>K</mi><mrow><mi>t</mi><mi>o</mi><mi>t</mi></mrow></msub></msub></math></span>) of elements with atomic number in the range <span><math><mrow><mn>16</mn><mspace></mspace><mo>≤</mo><mspace></mspace><mi>Z</mi><mspace></mspace><mo>≤</mo><mspace></mspace><mn>92</mn><mspace></mspace></mrow></math></span>by photo-ionization in multiple excitation energy ranging from 5.46 to 661.6 keV, which are presented in a form of 11 tables. The experimental values reported in 96 papers by numerous researches were published between 1985 and 2023. Therefore, by considering in the same tables a calculation of weighted average fluorescence cross section <span><math><mrow><mrow><mo>(</mo><msub><mi>σ</mi><msub><mi>K</mi><mi>j</mi></msub></msub><mo>)</mo></mrow><msub><mspace></mspace><mi>W</mi></msub></mrow></math></span>, with <span><math><mrow><mo>(</mo><mrow><mi>j</mi><mo>=</mo><msub><mi>β</mi><mrow><mn>1</mn><mo>,</mo><mn>3</mn></mrow></msub><mo>,</mo><msub><mi>β</mi><mrow><mn>2</mn><mo>,</mo><mn>4</mn></mrow></msub><mo>,</mo><msub><mi>α</mi><mn>1</mn></msub><mo>,</mo><msub><mi>α</mi><mn>2</mn></msub><mo>,</mo><msub><mi>β</mi><mn>1</mn></msub><mo>,</mo><msub><mi>β</mi><mn>2</mn></msub><mo>,</mo><msub><mrow><msup><mi>β</mi><mo>′</mo></msup></mrow><mn>1</mn></msub><mo>,</mo><msub><mrow><msup><mi>β</mi><mo>′</mo></msup></mrow><mn>2</mn></msub><mo>,</mo><mspace></mspace><mi>α</mi><mo>,</mo><mi>β</mi><mspace></mspace><mrow><mtext>and</mtext><mspace></mspace><mtext>tot</mtext></mrow></mrow><mo>)</mo></mrow></math></span> for each element; a full study of these data is carried out. However, dividing the measured values <span><math><mrow><msub><mrow><mo>(</mo><msub><mi>σ</mi><msub><mi>K</mi><mi>j</mi></msub></msub><mo>)</mo></mrow><mrow><mi>E<","PeriodicalId":55580,"journal":{"name":"Atomic Data and Nuclear Data Tables","volume":"159 ","pages":"Article 101662"},"PeriodicalIF":2.7,"publicationDate":"2024-06-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141389603","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Benchmark calculation of electron-impact ionization cross sections and rate coefficients of atomic ions in Ar isonuclear sequence","authors":"","doi":"10.1016/j.adt.2024.101663","DOIUrl":"10.1016/j.adt.2024.101663","url":null,"abstract":"<div><p>Argon is being considered as an injected impurity to mitigate damage to divertors of DEMO caused by excessive heat flux. For a comprehensive understanding of Ar plasma, carefully evaluated atomic data are required. In this study, the electron-impact ionization cross-sections and rate coefficients for all atomic ions in the argon isonuclear sequence are calculated using the level-to-level distorted wave approximation. The calculated cross-sections and rate coefficients are compared with experimental data and other theoretical calculations. The calculated values are consistent with results reported in the literature, with differences not exceeding 20%. We fit the calculated cross-sections using an empirical formula. Additionally, we combine our ionization rate coefficients with the dielectronic- and radiative-recombination rate coefficients from other studies to determine the ionization balance. The obtained data are expected to be useful for plasma modelling involving argon impurities.</p></div>","PeriodicalId":55580,"journal":{"name":"Atomic Data and Nuclear Data Tables","volume":"159 ","pages":"Article 101663"},"PeriodicalIF":2.7,"publicationDate":"2024-06-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141408579","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Peng Guo , Xiaojie Cao , Kangmin Chen , Zhihui Chen , Myung-Ki Cheoun , Yong-Beom Choi , Pak Chung Lam , Wenmin Deng , Jianmin Dong , Pengxiang Du , Xiaokai Du , Kangda Duan , Xiaohua Fan , Wei Gao , Lisheng Geng , Eunja Ha , Xiao-Tao He , Jinniu Hu , Jingke Huang , Kun Huang , Lianjian Zou
{"title":"Nuclear mass table in deformed relativistic Hartree–Bogoliubov theory in continuum, II: Even-Z nuclei","authors":"Peng Guo , Xiaojie Cao , Kangmin Chen , Zhihui Chen , Myung-Ki Cheoun , Yong-Beom Choi , Pak Chung Lam , Wenmin Deng , Jianmin Dong , Pengxiang Du , Xiaokai Du , Kangda Duan , Xiaohua Fan , Wei Gao , Lisheng Geng , Eunja Ha , Xiao-Tao He , Jinniu Hu , Jingke Huang , Kun Huang , Lianjian Zou","doi":"10.1016/j.adt.2024.101661","DOIUrl":"10.1016/j.adt.2024.101661","url":null,"abstract":"<div><p>The mass table in the deformed relativistic Hartree–Bogoliubov theory in continuum (DRHBc) with the PC-PK1 density functional has been established for even-<span><math><mi>Z</mi></math></span> nuclei with <span><math><mrow><mn>8</mn><mo>≤</mo><mi>Z</mi><mo>≤</mo><mn>120</mn></mrow></math></span>, extended from the previous work for even–even nuclei (Zhang et al. (DRHBc mass table collaboration), At. Data Nucl. Data Tables 144, 101488 (2022)). The calculated binding energies, two-nucleon and one-neutron separation energies, root-mean-square (rms) radii of neutron, proton, matter, and charge distributions, quadrupole deformations, and neutron and proton Fermi surfaces are tabulated and compared with available experimental data. A total of 4829 even-<span><math><mi>Z</mi></math></span> nuclei are predicted to be bound, with an rms deviation of 1.433 MeV from the 1244 mass data. Good agreement with the available experimental odd–even mass differences, <span><math><mi>α</mi></math></span> decay energies, and charge radii is also achieved. The description accuracy for nuclear masses and nucleon separation energies as well as the prediction for drip lines is compared with the results obtained from other relativistic and nonrelativistic density functional. The comparison shows that the DRHBc theory with PC-PK1 provides an excellent microscopic description for the masses of even-<span><math><mi>Z</mi></math></span> nuclei. The systematics of the nucleon separation energies, odd–even mass differences, pairing energies, two-nucleon gaps, <span><math><mi>α</mi></math></span> decay energies, rms radii, quadrupole deformations, potential energy curves, neutron density distributions, and neutron mean-field potentials are discussed.</p></div>","PeriodicalId":55580,"journal":{"name":"Atomic Data and Nuclear Data Tables","volume":"158 ","pages":"Article 101661"},"PeriodicalIF":1.8,"publicationDate":"2024-05-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141052880","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Large-scale relativistic calculations of spectral data in Zr XXVIII, Nb XXIX and Tc XXXI of tokamak interest","authors":"Z.B. Chen","doi":"10.1016/j.adt.2024.101660","DOIUrl":"10.1016/j.adt.2024.101660","url":null,"abstract":"<div><p>Large-scale relativistic multiconfiguration Dirac–Fock calculations of energy levels and lifetimes of the 206 states arising from the 3s<sup>2</sup>3p, 3p<sup>3</sup>, 3s3p3d, 3p3d<sup>2</sup>, 3s<sup>2</sup>4p, 3s<sup>2</sup>4f, 3s3p<sup>2</sup>, 3s<sup>2</sup>3d, 3s3d<sup>2</sup>, 3s<sup>2</sup>4d, 3s<sup>2</sup>4s, 3s3p4s, 3s3p4d, 3p<sup>2</sup>3d, 3d<sup>3</sup>, and 3s3p4p configurations of Zr XXVIII, Nb XXIX, and Tc XXXI of tokamak interest are carried out. The active space approximation is employed for the calculations. To obtain accurate and convergent results, the calculations take into account the valence and core-valence correlations within the <em>n</em> <span><math><mo>=</mo></math></span> 9 complex, as well as the Breit interaction, self-energy corrections, and vacuum polarization corrections. Detailed information regarding the decay properties of these ions is provided, including the transition wavelengths, line strengths, and radiative transition rates for various types (electric dipole, electric quadrupole, magnetic dipole, and magnetic quadrupole transitions) of transitions among the levels of the aforementioned configurations. The uncertainties of each dipole transition are evaluated. The present data sets are compared to previous results and a good agreement is observed, which is valuable for emission line identification and fusion modeling, especially in situations where experimental data are scarce.</p></div>","PeriodicalId":55580,"journal":{"name":"Atomic Data and Nuclear Data Tables","volume":"158 ","pages":"Article 101660"},"PeriodicalIF":1.8,"publicationDate":"2024-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141057288","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Photoionization cross-sections of valence shells of 3d-elements in VUV-soft X-ray spectral region","authors":"L.V. Chernysheva , V.G. Yarzhemsky","doi":"10.1016/j.adt.2024.101650","DOIUrl":"10.1016/j.adt.2024.101650","url":null,"abstract":"<div><p>Theoretical photoionization cross-sections and angular distribution parameters for valence and subvalence shells of 3<em>d</em>-elements from Sc to Zn are calculated with account for intrachannel and interchannel interactions for the energy region from threshold up to 400 eV. Many-electron effects were accounted for within the framework of RPAE (random phase approximation with exchange) method, which is extended for average terms of unfilled shells. Calculations demonstrate a decrease of σ(3 s) by approximately 25 %- 30 % for photon energies up to 24 Ry. and significant increase of σ(4s) for photon energies up tp 4 Ry and also a small decrease σ(3<em>p</em>) relative to the HFS results of Yeh and Lindau, whereas the influence of correlations on σ(3<em>d</em>) is negligible</p></div>","PeriodicalId":55580,"journal":{"name":"Atomic Data and Nuclear Data Tables","volume":"158 ","pages":"Article 101650"},"PeriodicalIF":1.8,"publicationDate":"2024-04-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141195725","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
A.N. Sil , S. Dutta , D. Ghosh , J.K. Saha , S. Bhattacharyya , T.K. Mukhopadhyay
{"title":"Precise structure calculations of 1,3Fe states of helium atom under exponentially screened Coulomb potential","authors":"A.N. Sil , S. Dutta , D. Ghosh , J.K. Saha , S. Bhattacharyya , T.K. Mukhopadhyay","doi":"10.1016/j.adt.2024.101649","DOIUrl":"10.1016/j.adt.2024.101649","url":null,"abstract":"<div><p>The structural properties of doubly excited <span><math><mrow><msup><mrow></mrow><mrow><mn>1</mn><mo>,</mo><mn>3</mn></mrow></msup><msup><mrow><mi>F</mi></mrow><mrow><mi>e</mi></mrow></msup></mrow></math></span> metastable-bound and resonance states of neutral helium atom under exponentially screened Coulomb potential are studied using explicitly correlated multi-exponent Hylleraas type basis set. Precise energy eigenvalues of <span><math><mrow><mn>2</mn><mi>p</mi><mi>n</mi><mi>f</mi><mrow><mo>(</mo><msup><mrow></mrow><mrow><mn>1</mn><mo>,</mo><mn>3</mn></mrow></msup><msup><mrow><mi>F</mi></mrow><mrow><mi>e</mi></mrow></msup><mo>)</mo></mrow></mrow></math></span> states <span><math><mfenced><mrow><mi>n</mi><mo>=</mo><mn>4</mn><mo>−</mo><mn>15</mn></mrow></mfenced></math></span> are estimated in the framework of Ritz variational principle. Stabilization method has been employed to calculate the resonance parameters (energy and width) of <span><math><mrow><msup><mrow></mrow><mrow><mn>1</mn><mo>,</mo><mn>3</mn></mrow></msup><msup><mrow><mi>F</mi></mrow><mrow><mi>e</mi></mrow></msup></mrow></math></span> states below <span><math><mrow><mi>H</mi><msup><mrow><mi>e</mi></mrow><mrow><mo>+</mo></mrow></msup><mrow><mo>(</mo><mn>3</mn><mi>p</mi><mo>)</mo></mrow></mrow></math></span> and <span><math><mrow><mi>H</mi><msup><mrow><mi>e</mi></mrow><mrow><mo>+</mo></mrow></msup><mrow><mo>(</mo><mn>4</mn><mi>p</mi><mo>)</mo></mrow></mrow></math></span> thresholds for different screening conditions. The resonance parameters above <span><math><mrow><mi>H</mi><msup><mrow><mi>e</mi></mrow><mrow><mo>+</mo></mrow></msup><mrow><mo>(</mo><mn>3</mn><mi>p</mi><mo>)</mo></mrow></mrow></math></span> threshold under screened Coulomb environment are reported for the first time in literature. Furthermore, pioneering calculations for the variation of structural properties such as one- and two-particle moments and inter-electronic angles are carried out for both metastable-bound and resonance <span><math><mrow><msup><mrow></mrow><mrow><mn>1</mn><mo>,</mo><mn>3</mn></mrow></msup><msup><mrow><mi>F</mi></mrow><mrow><mi>e</mi></mrow></msup></mrow></math></span> states of He atom under screened Coulomb potential. The present results may serve as benchmark for future references.</p></div>","PeriodicalId":55580,"journal":{"name":"Atomic Data and Nuclear Data Tables","volume":"158 ","pages":"Article 101649"},"PeriodicalIF":1.8,"publicationDate":"2024-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140763755","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
A. Zidi , A. Kahoul , J.P. Marques , S. Daoudi , J.M. Sampaio , F. Parente , A. Hamidani , S. Croft , A. Favalli , Y. Kasri , K. Amari , B. Berkani
{"title":"Databases of L-shell X-ray intensity ratios for various elements after photon excitation","authors":"A. Zidi , A. Kahoul , J.P. Marques , S. Daoudi , J.M. Sampaio , F. Parente , A. Hamidani , S. Croft , A. Favalli , Y. Kasri , K. Amari , B. Berkani","doi":"10.1016/j.adt.2024.101645","DOIUrl":"10.1016/j.adt.2024.101645","url":null,"abstract":"<div><p>In this study, a comprehensive dataset of X-ray emission intensity ratios has been compiled, including <span><math><mrow><msub><mi>I</mi><mrow><mi>L</mi><mi>β</mi></mrow></msub><mo>/</mo><msub><mi>I</mi><mrow><mi>L</mi><mi>α</mi></mrow></msub></mrow></math></span>, <span><math><mrow><msub><mi>I</mi><mrow><mi>L</mi><mi>γ</mi></mrow></msub><mo>/</mo><msub><mi>I</mi><mrow><mi>L</mi><mi>α</mi></mrow></msub></mrow></math></span>, <span><math><mrow><msub><mi>I</mi><mtext>Ll</mtext></msub><mo>/</mo><msub><mi>I</mi><mrow><mi>L</mi><mi>α</mi></mrow></msub></mrow></math></span>, <span><math><mrow><msub><mi>I</mi><mrow><mi>L</mi><mi>γ</mi></mrow></msub><mo>/</mo><msub><mi>I</mi><mrow><mi>L</mi><mi>β</mi></mrow></msub></mrow></math></span>, <span><math><mrow><msub><mi>I</mi><mtext>Ll</mtext></msub><mo>/</mo><msub><mi>I</mi><mrow><mi>L</mi><mi>γ</mi></mrow></msub></mrow></math></span>, <span><math><mrow><msub><mi>I</mi><mtext>Ll</mtext></msub><mo>/</mo><msub><mi>I</mi><mrow><mi>L</mi><mi>β</mi></mrow></msub></mrow></math></span>, <span><math><mrow><msub><mi>I</mi><mrow><mrow><mi>L</mi><mi>γ</mi></mrow><mn>5</mn></mrow></msub><mo>/</mo><msub><mi>I</mi><mrow><mi>L</mi><mi>α</mi></mrow></msub></mrow></math></span>, <span><math><mrow><msub><mi>I</mi><mrow><mrow><mi>L</mi><mi>γ</mi></mrow><mn>44</mn><msup><mrow></mrow><mo>′</mo></msup></mrow></msub><mo>/</mo><msub><mi>I</mi><mrow><mi>L</mi><mi>α</mi></mrow></msub></mrow></math></span>, <span><math><mrow><msub><mi>I</mi><mrow><mi>L</mi><mi>η</mi></mrow></msub><mo>/</mo><msub><mi>I</mi><mrow><mi>L</mi><mi>α</mi></mrow></msub></mrow></math></span>, and <span><math><mrow><msub><mi>I</mi><mrow><mrow><mi>L</mi><mi>γ</mi></mrow><mn>1</mn></mrow></msub><mo>/</mo><msub><mi>I</mi><mrow><mi>L</mi><mi>α</mi></mrow></msub></mrow></math></span>, extracted from literature spanning the years 1971 to 2023, and encompassing 83 research papers. Over this timeframe, a total of 2600 values were collected, comprising some 678 values for <span><math><mrow><msub><mi>I</mi><mrow><mi>L</mi><mi>β</mi></mrow></msub><mo>/</mo><msub><mi>I</mi><mrow><mi>L</mi><mi>α</mi></mrow></msub></mrow></math></span>, 696 values for <span><math><mrow><msub><mi>I</mi><mrow><mi>L</mi><mi>γ</mi></mrow></msub><mo>/</mo><msub><mi>I</mi><mrow><mi>L</mi><mi>α</mi></mrow></msub></mrow></math></span>, 617 values for <span><math><mrow><msub><mi>I</mi><mtext>Ll</mtext></msub><mo>/</mo><msub><mi>I</mi><mrow><mi>L</mi><mi>α</mi></mrow></msub></mrow></math></span>, along with 132, 132, 89, 60, 70, 71, and 55 data points for <span><math><mrow><msub><mi>I</mi><mrow><mi>L</mi><mi>γ</mi></mrow></msub><mo>/</mo><msub><mi>I</mi><mrow><mi>L</mi><mi>β</mi></mrow></msub></mrow></math></span>,<span><math><mrow><mspace></mspace><msub><mi>I</mi><mtext>Ll</mtext></msub><mo>/</mo><msub><mi>I</mi><mrow><mi>L</mi><mi>γ</mi></mrow></msub></mrow></math></span>, <span><math><mrow><msub><mi>I</mi><mtext>Ll</mtext></msub><mo>/</mo><msub><mi>I</mi><mrow><mi>L</mi><mi>β</mi></mrow></ms","PeriodicalId":55580,"journal":{"name":"Atomic Data and Nuclear Data Tables","volume":"157 ","pages":"Article 101645"},"PeriodicalIF":1.8,"publicationDate":"2024-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140405183","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Shiying Jiang, Banglin Deng, Guosheng Zhang, Yunping Wang, Shihui Nie, Xinyi Wang
{"title":"The study of atomic structure parameters for n = 4 - n = 3 transitions in Mg-like ions with 15≤Z≤30","authors":"Shiying Jiang, Banglin Deng, Guosheng Zhang, Yunping Wang, Shihui Nie, Xinyi Wang","doi":"10.1016/j.adt.2024.101648","DOIUrl":"10.1016/j.adt.2024.101648","url":null,"abstract":"<div><p>Multiconfiguration Dirac–Hartree–Fock (MCDHF) and relativistic configuration interaction (RCI) methods are utilized for theoretical calculations of energy levels, wavelengths, line strengths, absorption oscillator strengths, and transition probabilities in 3s<sup>2</sup>-3s4p, 3s3p-3s4s, 3s3p-3s4d, 3s3p-3p4p, 3s3d-3s4f, 3p<sup>2</sup>-3p4s, 3p<sup>2</sup>-3p4d, and 3p3d-3p4f transitions in Mg-like ions with <span><math><mrow><mn>15</mn><mo>≤</mo><mi>Z</mi><mo>≤</mo><mn>30</mn></mrow></math></span>. The calculations of energies account for Breit interaction and quantum electrodynamics (QED) contributions. The active space approximation is employed for the calculations, and energy converges when the active orbital set is increased to <span><math><mi>n</mi></math></span> = 7. The calculated lowest 78 levels including valence and core–valence correlations in Mg-like ions with Z=15–30 show good agreement with experiment results and other calculations. The relative difference between calculated wavelengths and experiment values exhibits a decreasing trend as the atomic numbers increase, and the difference is better than 1% for a majority of transitions. To evaluate the accuracy of the wave functions and transition parameters, the quantity <span><math><mrow><mi>d</mi><mi>T</mi></mrow></math></span> is analyzed within 0.1 for most strong transitions. The transition probabilities are compared with other theoretical values to analyze with line strength S. Such calculations may provide valuable data for the experimental study of plasma diagnostics and modeling as there are others.</p></div>","PeriodicalId":55580,"journal":{"name":"Atomic Data and Nuclear Data Tables","volume":"157 ","pages":"Article 101648"},"PeriodicalIF":1.8,"publicationDate":"2024-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140268676","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"MCDHF and RCI calculations of energies and radiative rates of Mn VI and Cr V","authors":"Bowen Li, Ximeng Chen","doi":"10.1016/j.adt.2024.101637","DOIUrl":"10.1016/j.adt.2024.101637","url":null,"abstract":"<div><p>Energies, wavelengths and transition rates in Mn VI and Cr V have been calculated using the multiconfiguration Dirac-Hartree–Fock (MCDHF) and relativistic configuration interaction (RCI) methods. The present calculations have been compared with the available data from the NIST ASD and other calculations to evaluate the accuracy of the present calculations. The calculated 25 lowest energy levels have good agreement with the data from the NIST ASD and should provide missing data, especially for levels of the <span><math><mrow><mn>3</mn><msup><mrow><mi>p</mi></mrow><mrow><mn>5</mn></mrow></msup><mn>3</mn><msup><mrow><mi>d</mi></mrow><mrow><mn>3</mn></mrow></msup></mrow></math></span> configuration in the NIST ASD. The calculated <span><math><mrow><mi>E</mi><mn>1</mn></mrow></math></span> transitions of the type <span><math><mrow><mn>3</mn><msup><mrow><mi>p</mi></mrow><mrow><mn>6</mn></mrow></msup><mn>3</mn><msup><mrow><mi>d</mi></mrow><mrow><mn>2</mn></mrow></msup></mrow></math></span> - <span><math><mrow><mn>3</mn><msup><mrow><mi>p</mi></mrow><mrow><mn>6</mn></mrow></msup><mn>3</mn><mi>d</mi><mn>4</mn><mi>p</mi></mrow></math></span> and <span><math><mrow><mi>E</mi><mn>2</mn></mrow></math></span> transitions of the types <span><math><mrow><mn>3</mn><msup><mrow><mi>p</mi></mrow><mrow><mn>6</mn></mrow></msup><mn>3</mn><msup><mrow><mi>d</mi></mrow><mrow><mn>2</mn></mrow></msup></mrow></math></span> - <span><math><mrow><mn>3</mn><msup><mrow><mi>p</mi></mrow><mrow><mn>6</mn></mrow></msup><mn>3</mn><mi>d</mi><mn>4</mn><mi>s</mi></mrow></math></span> and <span><math><mrow><mn>3</mn><msup><mrow><mi>p</mi></mrow><mrow><mn>6</mn></mrow></msup><mn>3</mn><msup><mrow><mi>d</mi></mrow><mrow><mn>2</mn></mrow></msup></mrow></math></span> - <span><math><mrow><mn>3</mn><msup><mrow><mi>p</mi></mrow><mrow><mn>6</mn></mrow></msup><mn>3</mn><msup><mrow><mi>d</mi></mrow><mrow><mn>3</mn></mrow></msup></mrow></math></span> are in excellent agreement with the NIST ASD. The consistence between present calculated <span><math><mrow><mi>E</mi><mn>2</mn></mrow></math></span> and <span><math><mrow><mi>M</mi><mn>1</mn></mrow></math></span> transitions within the <span><math><mrow><mn>3</mn><msup><mrow><mi>d</mi></mrow><mrow><mn>2</mn></mrow></msup></mrow></math></span> configuration are worse with the NIST ASD. The data obtained are expected to be useful for nebula and supernovae analyses.</p></div>","PeriodicalId":55580,"journal":{"name":"Atomic Data and Nuclear Data Tables","volume":"157 ","pages":"Article 101637"},"PeriodicalIF":1.8,"publicationDate":"2024-02-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139926777","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Maxime Brasseur , Sébastien Gamrath , Pascal Quinet
{"title":"Radiative decay rates for electric dipole transitions in doubly-, trebly- and quadruply-charged rhenium ions (Re III – V) of interest to nuclear fusion research and astrophysical spectra analyses","authors":"Maxime Brasseur , Sébastien Gamrath , Pascal Quinet","doi":"10.1016/j.adt.2024.101636","DOIUrl":"10.1016/j.adt.2024.101636","url":null,"abstract":"<div><p>A new set of radiative parameters (oscillator strengths and transition probabilities) was obtained for the most intense spectral lines in Re III, Re IV and Re V ions. These parameters were calculated using two independent methods, namely the pseudo-relativistic Hartree–Fock approach including core-polarization effects (HFR+CPOL) and the fully relativistic multiconfiguration Dirac–Hartree–Fock (MCDHF) approach. Detailed comparisons between the results obtained from these two methods as well as with the few data available in the literature allowed us to estimate the precision of the calculations carried out. The radiative parameters reported in the present paper concern a total of 368 electric dipole (E1) transitions in Re III, Re IV and Re V covering the ultraviolet spectral region from 655 to 2135 Å. These are of great interest for the analysis of spectra emitted by plasmas in nuclear fusion reactors, such as ITER where rhenium can be produced by neutron bombardment of the tungsten divertor wall, as well as for the investigation of astrophysical spectra observed from chemically peculiar stars or from kilonovae where rhenium can be produced by the nucleosynthesis r-process.</p></div>","PeriodicalId":55580,"journal":{"name":"Atomic Data and Nuclear Data Tables","volume":"157 ","pages":"Article 101636"},"PeriodicalIF":1.8,"publicationDate":"2024-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139875194","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}