Pub Date : 2025-03-01DOI: 10.1016/j.adt.2025.101721
Guosen Wang , Chuanyu Zhang , Xinlu Cheng , Hong Zhang
In this study, the potential energy function, dipole moment function, and transition dipole moment function of the PO+ are computed employing high-precision multi-reference configuration interaction methods. By solving the one-dimensional Schrödinger equation for the nuclei, vibrational and rotational energy levels of eight bound states are obtained, subsequently enabling the calculation of the partition function for the PO+ molecule. Combining the partition function with the dipole moment function and transition dipole moment function, spectral lines for the PO+ molecule in both the infrared and ultraviolet ranges are computed. The spectral lines in the infrared range primarily originate from vibrational-rotational transitions associated with the state, while the spectral lines in the ultraviolet range mainly arise from transitions involving the . At 296 K, the most intense spectral lines in the infrared range are generated by the 0–0 vibrational band(), while the most intense spectral lines in the ultraviolet range are produced by the 2–0 vibrational band(). At elevated temperatures, the overall intensity of spectral lines decreases as more energy levels are excited, and the central positions of spectral peaks undergo shifts. This study extensively computed the spectral line data for the PO+ molecule, providing crucial data support for astronomical observations.
{"title":"Theoretical Study on the Infrared and Ultraviolet Spectroscopy of PO+","authors":"Guosen Wang , Chuanyu Zhang , Xinlu Cheng , Hong Zhang","doi":"10.1016/j.adt.2025.101721","DOIUrl":"10.1016/j.adt.2025.101721","url":null,"abstract":"<div><div>In this study, the potential energy function, dipole moment function, and transition dipole moment function of the PO<sup>+</sup> are computed employing high-precision multi-reference configuration interaction methods. By solving the one-dimensional Schrödinger equation for the nuclei, vibrational and rotational energy levels of eight bound states are obtained, subsequently enabling the calculation of the partition function for the PO<sup>+</sup> molecule. Combining the partition function with the dipole moment function and transition dipole moment function, spectral lines for the PO<sup>+</sup> molecule in both the infrared and ultraviolet ranges are computed. The spectral lines in the infrared range primarily originate from vibrational-rotational transitions associated with the <span><math><mrow><msup><mrow><mi>X</mi></mrow><mn>1</mn></msup><msup><mrow><mstyle><mi>Σ</mi></mstyle></mrow><mo>+</mo></msup></mrow></math></span> state, while the spectral lines in the ultraviolet range mainly arise from transitions involving the <span><math><mrow><msup><mrow><mi>X</mi></mrow><mn>1</mn></msup><msup><mrow><mstyle><mi>Σ</mi></mstyle></mrow><mo>+</mo></msup><mo>↔</mo><msup><mrow><mi>C</mi></mrow><mn>1</mn></msup><mstyle><mi>Π</mi></mstyle></mrow></math></span>. At 296 K, the most intense spectral lines in the infrared range are generated by the 0–0 vibrational band(<span><math><mrow><msup><mi>v</mi><mo>′</mo></msup><mo>=</mo><mn>0</mn><mo>,</mo><msup><mi>v</mi><mrow><mo>″</mo></mrow></msup><mo>=</mo><mn>0</mn></mrow></math></span>), while the most intense spectral lines in the ultraviolet range are produced by the 2–0 vibrational band(<span><math><mrow><msup><mi>v</mi><mo>′</mo></msup><mo>=</mo><mn>2</mn><mo>,</mo><msup><mi>v</mi><mrow><mo>″</mo></mrow></msup><mo>=</mo><mn>0</mn></mrow></math></span>). At elevated temperatures, the overall intensity of spectral lines decreases as more energy levels are excited, and the central positions of spectral peaks undergo shifts. This study extensively computed the spectral line data for the PO<sup>+</sup> molecule, providing crucial data support for astronomical observations.</div></div>","PeriodicalId":55580,"journal":{"name":"Atomic Data and Nuclear Data Tables","volume":"163 ","pages":"Article 101721"},"PeriodicalIF":2.7,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143579101","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}
Pub Date : 2025-02-19DOI: 10.1016/j.adt.2025.101717
M. Buchowiecki
This study presents, for the first time, differential cross sections for collisions of the ground state nitrogen atoms in the energy range of hartree, and for ground state oxygen atoms in the energy range hartree. The reported angle and energy ranges for the differential cross sections enable precise integration to determine the integrated and transport cross sections, which are also included in this study. Additionally, a comparison of the resulting collision integrals with findings from other studies is provided, along with a discussion of the uncertainties associated with low-temperature collision integrals, particularly for oxygen.
{"title":"Differential, integrated, and transport cross sections for elastic collisions between ground state nitrogen and oxygen atoms","authors":"M. Buchowiecki","doi":"10.1016/j.adt.2025.101717","DOIUrl":"10.1016/j.adt.2025.101717","url":null,"abstract":"<div><div>This study presents, for the first time, differential cross sections for collisions of the ground state nitrogen atoms in the energy range of <span><math><mrow><mn>1</mn><msup><mrow><mn>0</mn></mrow><mrow><mo>−</mo><mn>6</mn></mrow></msup><mo>−</mo><mn>3</mn><mo>.</mo><mn>7</mn></mrow></math></span> hartree, and for ground state oxygen atoms in the energy range <span><math><mrow><mn>1</mn><msup><mrow><mn>0</mn></mrow><mrow><mo>−</mo><mn>6</mn></mrow></msup><mo>−</mo><mn>0</mn><mo>.</mo><mn>8</mn></mrow></math></span> hartree. The reported angle and energy ranges for the differential cross sections enable precise integration to determine the integrated and transport cross sections, which are also included in this study. Additionally, a comparison of the resulting collision integrals with findings from other studies is provided, along with a discussion of the uncertainties associated with low-temperature collision integrals, particularly for oxygen.</div></div>","PeriodicalId":55580,"journal":{"name":"Atomic Data and Nuclear Data Tables","volume":"164 ","pages":"Article 101717"},"PeriodicalIF":2.7,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144138682","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}
Pub Date : 2025-02-11DOI: 10.1016/j.adt.2025.101719
Karol Kozioł, Jacek Rzadkiewicz
High-accuracy Multi-Configuration Dirac–Hartree–Fock with Configuration Interaction calculations of level energies and transition rates have been carried out for iodine I8+ through I12+ ions related to the [Kr]4dn ( = 5−9) configurations. For I10+ through I12+ ions the present data fill up the lack of such data in the literature.
{"title":"Energies of I8+ through I12+ low-lying levels","authors":"Karol Kozioł, Jacek Rzadkiewicz","doi":"10.1016/j.adt.2025.101719","DOIUrl":"10.1016/j.adt.2025.101719","url":null,"abstract":"<div><div>High-accuracy Multi-Configuration Dirac–Hartree–Fock with Configuration Interaction calculations of level energies and transition rates have been carried out for iodine I<sup>8+</sup> through I<sup>12+</sup> ions related to the [Kr]4d<sup>n</sup> (<span><math><mi>n</mi></math></span> = 5−9) configurations. For I<sup>10+</sup> through I<sup>12+</sup> ions the present data fill up the lack of such data in the literature.</div></div>","PeriodicalId":55580,"journal":{"name":"Atomic Data and Nuclear Data Tables","volume":"164 ","pages":"Article 101719"},"PeriodicalIF":2.7,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144138719","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}
Pub Date : 2025-02-10DOI: 10.1016/j.adt.2025.101718
Wenliang He , Luyou Xie , Shengbo Niu , Jinglin Rui , Yulong Ma , Chenzhong Dong
Energy levels, radiative transition rates, autoionization rates, resonance strengths, and state resolved cross sections associated with the (, ) resonant electronic recombination processes in Ne- to Si-like gold ions (Au - Au) have been systematically calculated in the isolated resonance approximation using the Flexible Atomic Code based on the relativistic configuration interaction method. The calculations include not only the dominant dielectronic recombination but also higher-order trielectronic and quadruelectronic recombination processes. The calculated energies show excellent agreement with available experimental and theoretical values, with deviation within 0.32%. Additionally, the resonance energies and resonance strengths for prominent resonances align well with existing theoretical data. Using density matrix formalism, we have also calculated the degree of linear polarization for x-ray dielectronic satellite lines produced by the dominant LMM and LMN resonant electronic recombination processes. Further, the differential cross section for Au - Au ions are discussed and employed to simulate and identify EBIT experimental spectra. These results are expected to be used in the diagnosing high-temperature L-shell gold plasmas and of fusion plasmas in particular.
利用基于相对论组态相互作用方法的柔性原子码，系统地计算了Ne- to - si类金离子（Au69+ - Au65+）中与Δn=1 （2s, 2p→3l）共振电子复合过程相关的能级、辐射跃迁速率、自离化速率、共振强度和态分辨截面。计算不仅包括主要的双电子复合过程，还包括高阶的三电子和四电子复合过程。计算得到的能量与现有的实验值和理论值吻合良好，误差在0.32%以内。此外，突出共振的共振能量和共振强度与现有理论数据一致。利用密度矩阵的形式，我们还计算了主要的LMM和LMN共振电子复合过程产生的x射线双电子卫星线的线极化程度。进一步，讨论了Au69+ - Au65+离子的微分截面，并将其用于模拟和识别EBIT实验光谱。这些结果有望用于高温l壳金等离子体的诊断，特别是聚变等离子体的诊断。
{"title":"Resonance energies, strengths, cross sections and linear polarization of x-ray dielectronic satellite lines for resonant recombination processes of Au69+ - Au65+ ions","authors":"Wenliang He , Luyou Xie , Shengbo Niu , Jinglin Rui , Yulong Ma , Chenzhong Dong","doi":"10.1016/j.adt.2025.101718","DOIUrl":"10.1016/j.adt.2025.101718","url":null,"abstract":"<div><div>Energy levels, radiative transition rates, autoionization rates, resonance strengths, and state resolved cross sections associated with the <span><math><mrow><mi>Δ</mi><mi>n</mi><mo>=</mo><mn>1</mn></mrow></math></span> (<span><math><mrow><mn>2</mn><mi>s</mi></mrow></math></span>, <span><math><mrow><mn>2</mn><mi>p</mi></mrow></math></span> <span><math><mrow><mo>→</mo><mn>3</mn><mi>l</mi></mrow></math></span>) resonant electronic recombination processes in Ne- to Si-like gold ions (Au<span><math><msup><mrow></mrow><mrow><mn>69</mn><mo>+</mo></mrow></msup></math></span> - Au<span><math><msup><mrow></mrow><mrow><mn>65</mn><mo>+</mo></mrow></msup></math></span>) have been systematically calculated in the isolated resonance approximation using the Flexible Atomic Code based on the relativistic configuration interaction method. The calculations include not only the dominant dielectronic recombination but also higher-order trielectronic and quadruelectronic recombination processes. The calculated energies show excellent agreement with available experimental and theoretical values, with deviation within 0.32%. Additionally, the resonance energies and resonance strengths for prominent resonances align well with existing theoretical data. Using density matrix formalism, we have also calculated the degree of linear polarization for x-ray dielectronic satellite lines produced by the dominant LMM and LMN resonant electronic recombination processes. Further, the differential cross section for Au<span><math><msup><mrow></mrow><mrow><mn>69</mn><mo>+</mo></mrow></msup></math></span> - Au<span><math><msup><mrow></mrow><mrow><mn>65</mn><mo>+</mo></mrow></msup></math></span> ions are discussed and employed to simulate and identify EBIT experimental spectra. These results are expected to be used in the diagnosing high-temperature L-shell gold plasmas and of fusion plasmas in particular.</div></div>","PeriodicalId":55580,"journal":{"name":"Atomic Data and Nuclear Data Tables","volume":"164 ","pages":"Article 101718"},"PeriodicalIF":2.7,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144138718","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}
Pub Date : 2025-02-01DOI: 10.1016/j.adt.2024.101700
Sultana N. Nahar
An extensive set of E1 transitions with spectral features for Fe V obtained using relativistic Breit–Pauli R-matrix (BPRM) method is presented. The results correspond to a larger amount of atomic data and of higher accuracy in comparison to the earlier R-matrix results. We report 1,712,655 transitions among 4300 fine structure levels with , 5, 3, 1, 10, of even and odd parities of n and . The close coupling wavefunction expansion of Fe V includes ground and 18 excited levels of the core ion Fe VI. The theoretical spectroscopy of the fine structure levels for unique identifications was carried out using an algorithm based on quantum defect theory and angular algebra. The completeness of the calculated data sets is verified for all possible bound levels belonging to the relevant terms. The energies are in very good agreement with measured values within a few percent for most levels. Comparison of transition parameters and lifetimes also indicate general agreement with others. The present data processed for spectral features that show the detectability of Fe V is well within range of James Webb Space Telescope and other observatories. The present results for Fe VI, obtained from relativistic atomic structure calculations in Breit–Pauli approximation using code SUPERSTRUCTURE, include allowed E1 and forbidden E2, M1, E3, M2 transitions, 506,512 in total among 1021 energy levels, bound and continuum. Calculations show much larger number of bound levels of configurations of than those listed at NIST compilation table. The calculations included an optimized set of 9 configurations with orbitals going up to 4f. Comparison of energies, oscillator strengths, lifetimes with available values show good agreement although some large differences are also noted. In contrast to Fe V, the spectral features of Fe VI show three regions of strong lines in the soft-xray to ultraviolet wavelengths.
{"title":"Fine structure transitions with spectral features in Fe V and Fe VI","authors":"Sultana N. Nahar","doi":"10.1016/j.adt.2024.101700","DOIUrl":"10.1016/j.adt.2024.101700","url":null,"abstract":"<div><div>An extensive set of E1 transitions with spectral features for Fe V obtained using relativistic Breit–Pauli R-matrix (BPRM) method is presented. The results correspond to a larger amount of atomic data and of higher accuracy in comparison to the earlier R-matrix results. We report 1,712,655 transitions among 4300 fine structure levels with <span><math><mrow><mi>j</mi><mo>≤</mo><mn>10</mn></mrow></math></span>, <span><math><mrow><mn>2</mn><mi>S</mi><mo>+</mo><mn>1</mn><mo>=</mo></mrow></math></span> 5, 3, 1, <span><math><mrow><mi>L</mi><mo>≤</mo></mrow></math></span> 10, of even and odd parities of n <span><math><mrow><mo>≤</mo><mn>10</mn></mrow></math></span> and <span><math><mrow><mi>l</mi><mo>≤</mo><mn>9</mn></mrow></math></span>. The close coupling wavefunction expansion of Fe V includes ground and 18 excited levels of the core ion Fe VI. The theoretical spectroscopy of the fine structure levels for unique identifications was carried out using an algorithm based on quantum defect theory and angular algebra. The completeness of the calculated data sets is verified for all possible bound levels belonging to the relevant <span><math><mrow><mi>L</mi><mi>S</mi></mrow></math></span> terms. The energies are in very good agreement with measured values within a few percent for most levels. Comparison of transition parameters and lifetimes also indicate general agreement with others. The present data processed for spectral features that show the detectability of Fe V is well within range of James Webb Space Telescope and other observatories. The present results for Fe VI, obtained from relativistic atomic structure calculations in Breit–Pauli approximation using code SUPERSTRUCTURE, include allowed E1 and forbidden E2, M1, E3, M2 transitions, 506,512 in total among 1021 energy levels, bound and continuum. Calculations show much larger number of bound levels of configurations of <span><math><mrow><mn>3</mn><msup><mrow><mi>s</mi></mrow><mrow><mn>2</mn></mrow></msup><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>4</mn></mrow></msup></mrow></math></span> than those listed at NIST compilation table. The calculations included an optimized set of 9 configurations with orbitals going up to 4f. Comparison of energies, oscillator strengths, lifetimes with available values show good agreement although some large differences are also noted. In contrast to Fe V, the spectral features of Fe VI show three regions of strong lines in the soft-xray to ultraviolet wavelengths.</div></div>","PeriodicalId":55580,"journal":{"name":"Atomic Data and Nuclear Data Tables","volume":"162 ","pages":"Article 101700"},"PeriodicalIF":2.7,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143095851","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}
Pub Date : 2025-02-01DOI: 10.1016/j.adt.2024.101698
P. Jasik , D. Kȩdziera , J.E. Sienkiewicz
In response to the need to investigate and create a reliable dataset of spin-orbit coupling matrix elements, we have extended our recent work in which we presented results for the potential energy curves and permanent and transition dipole moments in KRb. This paper presents 190 allowed spin-orbit couplings between 30 singlet and triplet , , and electronic states of the KRb molecule. These results are crucial for accurately interpreting spectroscopic data, especially for the deperturbation analysis challenges. 23 tables and 21 graphs present the , , and components of reported spin-orbit couplings. Using the MOLPRO code, we performed MRCI calculations using the large-core pseudopotentials and core polarization potentials with reoptimized cutoff parameters. The spin-orbit parameters of the potassium pseudopotential were deduced and optimized from scratch. The Gaussian basis sets used in our calculations were appropriately selected, augmented, and optimized. We compare some of our data with available theoretical and experimental results.
{"title":"Matrix elements for spin-orbit couplings in KRb","authors":"P. Jasik , D. Kȩdziera , J.E. Sienkiewicz","doi":"10.1016/j.adt.2024.101698","DOIUrl":"10.1016/j.adt.2024.101698","url":null,"abstract":"<div><div>In response to the need to investigate and create a reliable dataset of spin-orbit coupling matrix elements, we have extended our recent work in which we presented results for the potential energy curves and permanent and transition dipole moments in KRb. This paper presents 190 allowed spin-orbit couplings between 30 singlet and triplet <span><math><msup><mrow><mi>Σ</mi></mrow><mrow><mo>+</mo></mrow></msup></math></span>, <span><math><mi>Π</mi></math></span>, and <span><math><mi>Δ</mi></math></span> electronic states of the KRb molecule. These results are crucial for accurately interpreting spectroscopic data, especially for the deperturbation analysis challenges. 23 tables and 21 graphs present the <span><math><mrow><mi>L</mi><mi>S</mi><mi>X</mi></mrow></math></span>, <span><math><mrow><mi>L</mi><mi>S</mi><mi>Y</mi></mrow></math></span> <!--> <!-->, and <span><math><mrow><mi>L</mi><mi>S</mi><mi>Z</mi></mrow></math></span> components of reported spin-orbit couplings. Using the MOLPRO code, we performed MRCI calculations using the large-core pseudopotentials and core polarization potentials with reoptimized cutoff parameters. The spin-orbit parameters of the potassium pseudopotential were deduced and optimized from scratch. The Gaussian basis sets used in our calculations were appropriately selected, augmented, and optimized. We compare some of our data with available theoretical and experimental results.</div></div>","PeriodicalId":55580,"journal":{"name":"Atomic Data and Nuclear Data Tables","volume":"162 ","pages":"Article 101698"},"PeriodicalIF":2.7,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143095847","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-01DOI: 10.1016/j.adt.2024.101699
José Nicolás Orce
Throughout the nuclear chart, particle-hole correlations give rise to giant resonances and, together with the proton–neutron interaction, deformation and rotational bands. In order to shed light on many-body correlations in open-shell nuclei, I explore macroscopic properties that could manifest from the collective behaviour of protons and neutrons. Intuitively, the correlation of proton and neutron Cooper pairs can be inferred from the respective pairing gaps, that can precisely be extracted from the AME 2020 atomic mass evaluation through odd-even atomic mass differences. This work shows that the combination of large and close-lying proton and neutron pairing gaps is sensitive to onsets of collectivity and subshell gaps in superfluid nuclei, away from major shell closures. Trends of reduced transition probabilities or B(E2) values — which describe the collective overlap between the wave functions of initial and final nuclear states — are revealed in overall agreement with data. Specially interesting is the peak of collectivity in the tin isotopes at 110Sn, instead of at midshell, as expected by large-scale shell-model calculations; a situation that has astounded the nuclear physics community for quite some time.
{"title":"Subshell gaps and onsets of collectivity from proton and neutron pairing gap correlations","authors":"José Nicolás Orce","doi":"10.1016/j.adt.2024.101699","DOIUrl":"10.1016/j.adt.2024.101699","url":null,"abstract":"<div><div>Throughout the nuclear chart, particle-hole correlations give rise to giant resonances and, together with the proton–neutron interaction, deformation and rotational bands. In order to shed light on many-body correlations in open-shell nuclei, I explore macroscopic properties that could manifest from the collective behaviour of protons and neutrons. Intuitively, the correlation of proton and neutron Cooper pairs can be inferred from the respective pairing gaps, that can precisely be extracted from the AME 2020 atomic mass evaluation through odd-even atomic mass differences. This work shows that the combination of large and close-lying proton and neutron pairing gaps is sensitive to onsets of collectivity and subshell gaps in superfluid nuclei, away from major shell closures. Trends of reduced transition probabilities or B(E2) values — which describe the collective overlap between the wave functions of initial and final nuclear states — are revealed in overall agreement with data. Specially interesting is the peak of collectivity in the tin isotopes at <sup>110</sup>Sn, instead of at midshell, as expected by large-scale shell-model calculations; a situation that has astounded the nuclear physics community for quite some time.</div></div>","PeriodicalId":55580,"journal":{"name":"Atomic Data and Nuclear Data Tables","volume":"162 ","pages":"Article 101699"},"PeriodicalIF":2.7,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143095846","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}
Pub Date : 2024-10-08DOI: 10.1016/j.adt.2024.101697
V.V. Varlamov, A.I. Davydov, V.N. Orlin
The well-known significant systematic disagreements between cross sections of partial photoneutron reactions and (γ, 2n) obtained in various experiments majority of which have been carried out at Livermore (USA) and Saclay (France) were analyzed using the objective physical criteria of data reliability. It was found that experimental data for more than 50 nuclei from 51V to 209Bi in general do not meet those criteria and therefore are more or less unreliable. The experimental-theoretical method based on the Combined PhotoNuclear Reaction Model (CPNRM) was used to evaluate partial reaction cross sections that meet the reliability criteria. It was shown using the analysis in detail of differences between evaluated and experimental cross sections that the major sources of large systematic uncertainties in obtained cross sections are certain shortcomings of experimental neutron multiplicity sorting method have been used for indirect separation of partial reactions. It was shown that the newly evaluated cross sections of partial photoneutron reactions differ significantly (at least noticeably) from the ones obtained using the method of neutron multiplicity sorting but agree with experimental data obtained by alternative methods used for reliable direct separation of partial reactions. The consolidated review of many problems with partial photoneutron reaction experimental data reliability and some ways to solve ones are presented.
{"title":"Photonuclear partial reaction cross sections: Systematic uncertainties and reliability","authors":"V.V. Varlamov, A.I. Davydov, V.N. Orlin","doi":"10.1016/j.adt.2024.101697","DOIUrl":"10.1016/j.adt.2024.101697","url":null,"abstract":"<div><div>The well-known significant systematic disagreements between cross sections of partial photoneutron reactions <span><math><mrow><mo>(</mo><mrow><mi>γ</mi><mo>,</mo><mn>1</mn><mi>n</mi></mrow><mo>)</mo></mrow></math></span> and (<em>γ</em>, 2<em>n</em>) obtained in various experiments majority of which have been carried out at Livermore (USA) and Saclay (France) were analyzed using the objective physical criteria of data reliability. It was found that experimental data for more than 50 nuclei from <sup>51</sup>V to <sup>209</sup>Bi in general do not meet those criteria and therefore are more or less unreliable. The experimental-theoretical method based on the Combined PhotoNuclear Reaction Model (CPNRM) was used to evaluate partial reaction cross sections that meet the reliability criteria. It was shown using the analysis in detail of differences between evaluated and experimental cross sections that the major sources of large systematic uncertainties in obtained cross sections are certain shortcomings of experimental neutron multiplicity sorting method have been used for indirect separation of partial reactions. It was shown that the newly evaluated cross sections of partial photoneutron reactions differ significantly (at least noticeably) from the ones obtained using the method of neutron multiplicity sorting but agree with experimental data obtained by alternative methods used for reliable direct separation of partial reactions. The consolidated review of many problems with partial photoneutron reaction experimental data reliability and some ways to solve ones are presented.</div></div>","PeriodicalId":55580,"journal":{"name":"Atomic Data and Nuclear Data Tables","volume":"161 ","pages":"Article 101697"},"PeriodicalIF":2.7,"publicationDate":"2024-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142757143","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}
Pub Date : 2024-10-04DOI: 10.1016/j.adt.2024.101693
R. Karpuškienė, R. Kisielius
The ab initio quasirelativistic approach developed specifically for the calculation of spectral parameters of highly charged ions has been used to determine transition data for the Tc-like tungsten ion W. This is the final paper of our studies examining spectroscopic properties of the tungsten ions with open 4d shell in the ground state. The configuration interaction method has been utilized to include electron correlation effects. The relativistic effects have been taken into account in the Breit–Pauli approximation. Level energies, their radiative lifetimes , and Landé -factors have been determined for the ground configuration 4p4d and two excited configurations, 4p4d8 and 4p64d64f. The radiative transition wavelengths and emission transition probabilities for the electric dipole, electric quadrupole, electric octupole, magnetic dipole, and magnetic quadrupole transitions among the fine-structure levels of these configurations have been computed and analyzed. The uncertainties of produced spectroscopic parameters have been evaluated.
{"title":"Theoretical level energies and transition data for 4p64d7, 4p54d8 and 4p64d64f configurations of W31+ ion","authors":"R. Karpuškienė, R. Kisielius","doi":"10.1016/j.adt.2024.101693","DOIUrl":"10.1016/j.adt.2024.101693","url":null,"abstract":"<div><div>The <em>ab initio</em> quasirelativistic approach developed specifically for the calculation of spectral parameters of highly charged ions has been used to determine transition data for the Tc-like tungsten ion W<span><math><msup><mrow></mrow><mrow><mn>31</mn><mo>+</mo></mrow></msup></math></span>. This is the final paper of our studies examining spectroscopic properties of the tungsten ions with open 4d shell in the ground state. The configuration interaction method has been utilized to include electron correlation effects. The relativistic effects have been taken into account in the Breit–Pauli approximation. Level energies, their radiative lifetimes <span><math><mi>τ</mi></math></span>, and Landé <span><math><mi>g</mi></math></span>-factors have been determined for the ground configuration 4p<span><math><msup><mrow></mrow><mrow><mn>6</mn></mrow></msup></math></span>4d<span><math><msup><mrow></mrow><mrow><mn>7</mn></mrow></msup></math></span> and two excited configurations, 4p<span><math><msup><mrow></mrow><mrow><mn>5</mn></mrow></msup></math></span>4d<sup>8</sup> and 4p<sup>6</sup>4d<sup>6</sup>4f. The radiative transition wavelengths <span><math><mi>λ</mi></math></span> and emission transition probabilities <span><math><mi>A</mi></math></span> for the electric dipole, electric quadrupole, electric octupole, magnetic dipole, and magnetic quadrupole transitions among the fine-structure levels of these configurations have been computed and analyzed. The uncertainties of produced spectroscopic parameters have been evaluated.</div></div>","PeriodicalId":55580,"journal":{"name":"Atomic Data and Nuclear Data Tables","volume":"161 ","pages":"Article 101693"},"PeriodicalIF":2.7,"publicationDate":"2024-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142757137","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}
Pub Date : 2024-10-03DOI: 10.1016/j.adt.2024.101695
David R. Schultz , Boris Pritychenko
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