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Fine structure transitions with spectral features in Fe V and Fe VI

IF 2.7 3区物理与天体物理 Q2 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL

Atomic Data and Nuclear Data Tables

Pub Date : 2025-02-01 DOI: 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

j \leq 10

2 S + 1 =

5, 3, 1,

L \leq

10, of even and odd parities of n

\leq 10

and

l \leq 9

. 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

L S

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

3 s^{2} 3 p^{5} 3 d^{4}

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.

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引用次数: 0

Matrix elements for spin-orbit couplings in KRb

IF 2.7 3区物理与天体物理 Q2 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL

Atomic Data and Nuclear Data Tables

Pub Date : 2025-02-01 DOI: 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

Σ^{+}

Π

, and

Δ

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

L S X

L S Y

, and

L S Z

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.

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引用次数: 0

Subshell gaps and onsets of collectivity from proton and neutron pairing gap correlations

IF 2.7 3区物理与天体物理 Q2 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL

Atomic Data and Nuclear Data Tables

Pub Date : 2025-02-01 DOI: 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.

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引用次数: 0

Photonuclear partial reaction cross sections: Systematic uncertainties and reliability 光核部分反应截面：系统的不确定性和可靠性

IF 2.7 3区物理与天体物理 Q2 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL

Atomic Data and Nuclear Data Tables

Pub Date : 2024-10-08 DOI: 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

(γ, 1 n)

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.

在美国利弗莫尔（Livermore）和法国萨克莱（Saclay）进行的各种实验中获得的部分光子中子反应（γ,1n）和（γ, 2n）截面之间众所周知的显著系统差异，使用数据可靠性的客观物理标准进行了分析。结果发现，从51V到209Bi的50多个原子核的实验数据一般不符合这些标准，因此或多或少不可靠。采用基于组合光核反应模型（CPNRM）的实验-理论方法对满足可靠性标准的部分反应截面进行了评估。通过对计算截面与实验截面差异的详细分析表明，实验中子多重分选法用于间接分离部分反应的某些缺点是所得截面系统不确定度较大的主要来源。结果表明，新计算的部分光子中子反应截面与用中子多重分选方法得到的截面有显著差异，但与用可靠的直接分离部分反应的替代方法得到的实验数据一致。本文综合评述了部分光子中子反应实验数据可靠性的许多问题，并提出了解决这些问题的方法。

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引用次数: 0

Theoretical level energies and transition data for 4p64d7, 4p54d8 and 4p64d64f configurations of W31+ ion W31+离子4p64d7、4p54d8和4p64d64f构型的理论能级和跃迁数据

IF 2.7 3区物理与天体物理 Q2 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL

Atomic Data and Nuclear Data Tables

Pub Date : 2024-10-04 DOI: 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

^{31 +}

. 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

τ

, and Landé

g

-factors have been determined for the ground configuration 4p

^{6}

^{7}

and two excited configurations, 4p

^{5}

4d⁸ and 4p⁶4d⁶4f. The radiative transition wavelengths

λ

and emission transition probabilities

A

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.

专门用于计算高电荷离子光谱参数的从头算准相对论方法已被用于确定类tc钨离子W31+的跃迁数据。这是我们在基态下研究开壳钨离子光谱特性的最后一篇论文。采用组态相互作用方法来考虑电子相关效应。在Breit-Pauli近似中考虑了相对论效应。已经确定了地面构型4p64d7和两个激发态4p54d8和4p64d64f的能级能、辐射寿命τ和land g因子。计算并分析了电偶极子、电四极子、电八极子、磁偶极子和磁四极子的辐射跃迁波长λ和发射跃迁概率A。对所得光谱参数的不确定度进行了评定。

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引用次数: 0

ADNDT's enduring distinct role in the scientific publishing ecosystem ADNDT在科学出版生态系统中持久的独特作用

IF 2.7 3区物理与天体物理 Q2 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL

Atomic Data and Nuclear Data Tables

Pub Date : 2024-10-03 DOI: 10.1016/j.adt.2024.101695

David R. Schultz , Boris Pritychenko

引用次数: 0

Comprehensive review of 2β decay half-lives 2β衰变半衰期的综合评述

IF 2.7 3区物理与天体物理 Q2 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL

Atomic Data and Nuclear Data Tables

Pub Date : 2024-10-02 DOI: 10.1016/j.adt.2024.101694

B. Pritychenko , V.I. Tretyak

The double-beta (2

β

)-decay is the rarest nuclear physics process, and its experimental half-lives (T

_{1 / 2}

) exceed the age of the Universe from nine to fourteen orders of magnitude. Double-beta decay was observed, and its half-life was measured in 14 parent nuclei using direct, radiochemical, and geochemical methods. The decay observables are analyzed using the Evaluated Nuclear Structure Data File (ENSDF) procedures, and the recommended T

_{1 / 2}

were deduced. Using the calculated values of phase factors, the effective nuclear matrix elements were extracted and compared with available data. Thousands of theoretical and experimental works have been dedicated to these topics in the last 85 years, and we present two data sets of recommended values to encapsulate the results.

双β (2β)衰变是最罕见的核物理过程，其实验半衰期（T1/2）超过宇宙年龄9到14个数量级。用直接、放射化学和地球化学方法测量了14个母核的双β衰变和半衰期。利用评估核结构数据文件（ENSDF）程序对衰变观测值进行了分析，并推导出推荐的T1/2。利用相因子的计算值，提取有效核矩阵元素，并与现有数据进行比较。在过去的85年里，成千上万的理论和实验工作致力于这些主题，我们提出了两组推荐值的数据集来概括结果。

引用次数: 0

Mean Excitation Energies of all ionization stages of all atoms with 1≤Z≤86 1≤Z≤86的所有原子各电离阶段的平均激发能

IF 2.7 3区物理与天体物理 Q2 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL

Atomic Data and Nuclear Data Tables

Pub Date : 2024-10-02 DOI: 10.1016/j.adt.2024.101696

J. Walkowiak , J. Bielecki , J. Bieroń , A. Jardin , Y. Savoye-Peysson , D. Mazon , K. Król , D. Dworak , M. Scholz

The presented work provides values of Mean Excitation Energy (MEE) for all atoms and their ions with atomic numbers

1 \leq Z \leq 86

. To fill in the gaps in the available data, we propose an approximate atomic model for ions of high-Z elements, that uses a semi-empirical formula based on the Local Plasma Approximation (LPA). Despite the fact that the LPA, in its original form, poorly predicts MEE for high ionization states, a relatively simple modification utilizing a fit function can amend this shortcoming. We assess the importance of relativistic effects for the MEE for highly ionized atoms and compare the proposed formula to other approximations available for high-Z elements. We estimate the uncertainty of the presented data to be less than 40% in absolute value for the worst cases and less than 20% for most ions. This corresponds to an uncertainty of the order of few percent for the logarithm of MEE, which is the value of interest in the case of Bethe’s theory of stopping power.

本文给出了原子序数为1≤Z≤86的所有原子及其离子的平均激发能（MEE）。为了填补现有数据的空白，我们提出了一个高z元素离子的近似原子模型，该模型使用基于局部等离子体近似（LPA）的半经验公式。尽管LPA在其原始形式下很难预测高电离态的MEE，但利用拟合函数进行相对简单的修改可以弥补这一缺点。我们评估了相对论效应对高电离原子MEE的重要性，并将所提出的公式与其他高z元素的近似进行了比较。我们估计，在最坏情况下，所提供数据的不确定性绝对值小于40%，对于大多数离子，不确定性绝对值小于20%。这对应于MEE的对数的几个百分点的不确定性，这是贝特停止力理论中感兴趣的值。

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引用次数: 0

Collective model description of parity-doublet bands in odd mass nuclei 奇质量原子核中奇偶重态带的集体模型描述

IF 2.7 3区物理与天体物理 Q2 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL

Atomic Data and Nuclear Data Tables

Pub Date : 2024-09-26 DOI: 10.1016/j.adt.2024.101692

R. Budaca

The yrast parity doublet rotational bands in odd medium mass and heavy nuclei are described by a quadrupole–octupole axially symmetric collective model within the strong coupling assumption regarding the odd nucleon. Energy levels of the same spin and opposite parity are interpreted as symmetric and antisymmetric quantum states of the quadrupole–octupole shape fluctuation. The energy spectrum and the associated electromagnetic transitions of the parity doublet bands observed in 21 selected nuclei, are reproduced with a very good accuracy. Predictions are performed for energies of unobserved states and electromagnetic properties. The model parameters are used to establish the static or dynamic nature of the octupole correlations in the ground state and their evolution with spin. A general systematization of the octupole effects as a function of nucleon numbers is realized in conjunction with results on even–even nuclei.

在奇核强耦合假设下，用四极-八极轴对称集体模型描述了奇中质和重核的奇宇称偶重旋转带。相同自旋和相反宇称的能级被解释为四极-八极形状涨落的对称和反对称量子态。在21个选定的原子核中观测到的宇称重态带的能谱和相关的电磁跃迁，得到了很好的再现。对未观测态和电磁特性的能量进行了预测。模型参数用于建立基态八极相关的静态或动态性质及其随自旋的演化。结合偶偶核的结果，实现了八极子效应作为核子数函数的一般系统化。

引用次数: 0

Single-electron capture from helium targets by heavy nuclei of charges 1–7 电荷数为 1-7 的重核从氦靶俘获单电子

IF 2.7 3区物理与天体物理 Q2 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL

Atomic Data and Nuclear Data Tables

Pub Date : 2024-08-31 DOI: 10.1016/j.adt.2024.101685

I. Mančev , N. Milojević , D. Delibašić , M. Milenković , Dž. Belkić

<div><p>Single-electron capture by multiply charged nuclei from helium atoms is studied by means of the prior form of the four-body boundary-corrected continuum intermediate state (BCIS-4B) method. Computations concern total cross sections for the state-selective (<span><math><msub><mrow><mi>Q</mi></mrow><mrow><mi>n</mi><mi>l</mi><mi>m</mi></mrow></msub></math></span>) and state-summed (<span><math><mrow><msub><mrow><mi>Q</mi></mrow><mrow><mi>n</mi><mi>l</mi></mrow></msub><mo>,</mo><msub><mrow><mi>Q</mi></mrow><mrow><mi>n</mi></mrow></msub><mo>,</mo><msub><mrow><mi>Q</mi></mrow><mrow><mi>Σ</mi></mrow></msub></mrow></math></span>) populations at 20–3000 keV/amu. These refer to the collisions of the type <span><math><mrow><msup><mrow><mi>A</mi></mrow><mrow><msub><mrow><mi>Z</mi></mrow><mrow><mi>P</mi></mrow></msub><mo>+</mo></mrow></msup><mo>+</mo><mi>He</mi><mrow><mo>(</mo><mn>1</mn><msup><mrow><mi>s</mi></mrow><mrow><mn>2</mn></mrow></msup><mo>)</mo></mrow><mo>→</mo><msup><mrow><mi>A</mi></mrow><mrow><mrow><mo>(</mo><msub><mrow><mi>Z</mi></mrow><mrow><mi>P</mi></mrow></msub><mo>−</mo><mn>1</mn><mo>)</mo></mrow><mo>+</mo></mrow></msup><mrow><mo>(</mo><mi>n</mi><mi>l</mi><mi>m</mi><mo>)</mo></mrow><mo>+</mo><msup><mrow><mi>He</mi></mrow><mrow><mo>+</mo></mrow></msup><mrow><mo>(</mo><mn>1</mn><mi>s</mi><mo>)</mo></mrow></mrow></math></span>. Here, the projectile <span><math><msup><mrow><mi>A</mi></mrow><mrow><msub><mrow><mi>Z</mi></mrow><mrow><mi>P</mi></mrow></msub><mo>+</mo></mrow></msup></math></span> covers the ions <span><math><msup><mrow><mi>H</mi></mrow><mrow><mo>+</mo></mrow></msup></math></span>, <span><math><msup><mrow><mi>He</mi></mrow><mrow><mn>2</mn><mo>+</mo></mrow></msup></math></span>, <span><math><msup><mrow><mi>Li</mi></mrow><mrow><mn>3</mn><mo>+</mo></mrow></msup></math></span>, <span><math><msup><mrow><mi>Be</mi></mrow><mrow><mn>4</mn><mo>+</mo></mrow></msup></math></span>, <span><math><msup><mrow><mi>B</mi></mrow><mrow><mn>5</mn><mo>+</mo></mrow></msup></math></span>, <span><math><msup><mrow><mi>C</mi></mrow><mrow><mn>6</mn><mo>+</mo></mrow></msup></math></span> and <span><math><msup><mrow><mi>N</mi></mrow><mrow><mn>7</mn><mo>+</mo></mrow></msup></math></span>. The reported findings are tabulated for each value of the quantum numbers <span><math><mrow><mo>{</mo><mi>n</mi><mo>,</mo><mi>l</mi><mo>,</mo><mi>m</mi><mo>}</mo></mrow></math></span>. The maximum values <span><math><msub><mrow><mi>n</mi></mrow><mrow><mo>max</mo></mrow></msub></math></span> of the principal quantum number <span><math><mi>n</mi></math></span> are 4 (<span><math><msup><mrow><mi>H</mi></mrow><mrow><mo>+</mo></mrow></msup></math></span>, <span><math><msup><mrow><mi>He</mi></mrow><mrow><mn>2</mn><mo>+</mo></mrow></msup></math></span>, <span><math><msup><mrow><mi>Li</mi></mrow><mrow><mn>3</mn><mo>+</mo></mrow></msup></math></span>), 5 (<span><math><msup><mrow><mi>Be</mi></mrow><mrow><mn>4</mn><mo>+</mo></mrow></msup></math></span>), 6 (<span><math><msup><mrow><

通过四体边界校正连续中间态（BCIS-4B）方法的先验形式，研究了氦原子多电荷核的单电子俘获。计算涉及 20-3000 keV/amu 下的态选择群（Qnlm）和态总和群（Qnl,Qn,QΣ）的总截面。这些是指 AZP++He(1s2)→A(ZP-1)+(nlm)+He+(1s) 类型的碰撞。这里，射弹 AZP+ 包括 H+、He2+、Li3+、Be4+、B5+、C6+ 和 N7+ 离子。报告的研究结果按量子数 {n,l,m} 的每个值列表。主量子数 n 的最大值 nmax 分别为 4（H+、He2+、Li3+）、5（Be4+）、6（B5+）和 7（C6+、N7+）。通过选择一个适当的截断值 nmax，并随后应用奥本海默 n-3 缩放规则，将来自 n>nmax 的贡献大致包括在内，从而截断了所有 n 状态的总和。所得到的 QΣ 和某些最终 n 特定态的结果很好地描述了相应的实验数据。这使得 BCIS-4B 方法的先验形式有资格进一步应用于多个跨学科领域，包括天体物理学、热核聚变、等离子体物理学和医学中的离子疗法。

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