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Atomic determination of the nuclear quadrupole moment (textrm{Q}(^{209}textrm{Bi})) using the multi-configuration Dirac–Hartree–Fock method 核四极矩的原子测定(textrm{Q}(^{209}textrm{Bi}))使用多组态Dirac-Hartree-Fock方法
IF 1.5 4区 物理与天体物理 Q3 OPTICS Pub Date : 2025-12-12 DOI: 10.1140/epjd/s10053-025-01105-8
Jiguang Li, Jacek Bieroń, Michel Godefroid, Per Jönsson

The multi-configuration Dirac–Hartree–Fock method implemented in the Grasp2018 package was employed to calculate the magnetic dipole hyperfine interaction constants and electric field gradients of levels in the ground configuration of the neutral bismuth atom. Combining the calculated electric field gradient of the ground state with the measured electric quadrupole hyperfine interaction constant, we extracted the nuclear quadrupole moment for the (^{209})Bi isotope, (textrm{Q}(^{209} {textbf {Bi}}) = -422(22)) mb. A “world average” value of the nuclear quadrupole moment of this isotope, (textrm{Q}(^{209} {textbf {Bi}}) = -420(17)) mb, was deduced from the present result combined with a large sample of other theoretical values obtained with elaborate atomic- and molecular-structure calculations.

利用Grasp2018中实现的多组态dirac - harree - fock方法计算了中性铋原子地组态中磁偶极子超精细相互作用常数和能级的电场梯度。结合计算的基态电场梯度和测量的电四极子超精细相互作用常数,我们提取了(^{209}) Bi同位素的核四极子矩(textrm{Q}(^{209} {textbf {Bi}}) = -422(22)) mb。该同位素的核四极子矩(textrm{Q}(^{209} {textbf {Bi}}) = -420(17)) mb的“世界平均”值是由目前的结果与通过精细的原子和分子结构计算获得的大量其他理论值相结合得出的。
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引用次数: 0
Calculations of positron scattering from beryllium and beryllium oxide 铍和氧化铍正电子散射的计算
IF 1.5 4区 物理与天体物理 Q3 OPTICS Pub Date : 2025-12-11 DOI: 10.1140/epjd/s10053-025-01103-w
N. A. Mori, I. Bray, D. V. Fursa

The single-center convergent close-coupling (CCC) method is applied to calculate positron scattering from beryllium. A model potential approach is utilized to extract positronium formation, direct ionization, and values between the positronium formation and direct ionization threshold. For this scattering system, we present results for total, electron loss, elastic, momentum transfer, excitation, positronium formation, direct ionization, stopping power, and mean excitation energy from threshold to 5000 eV. A modified independent atom approach is used to calculate total, electron loss, and elastic cross sections for beryllium oxide for energies above 1 eV. For beryllium, good agreement is viewed with past theory for intermediate and high energies. At lower energies, different theoretical models exhibit substantial differences.

采用单中心收敛紧密耦合(CCC)方法计算了铍的正电子散射。利用模型电位法提取正电子离子形成、直接电离以及正电子离子形成与直接电离阈值之间的值。对于这个散射系统,我们给出了总的、电子损失、弹性、动量转移、激发、正电子形成、直接电离、停止功率和从阈值到5000 eV的平均激发能的结果。一个改进的独立原子方法被用来计算总,电子损失,和弹性截面的氧化铍的能量超过1ev。对于铍,与过去的中高能理论一致。在较低的能量下,不同的理论模型表现出实质性的差异。
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引用次数: 0
Influence of plasma screening and external fields on the spectroscopic characteristics of Li-like Al XI ion 等离子体筛选和外场对Li-like Al - XI离子光谱特性的影响
IF 1.5 4区 物理与天体物理 Q3 OPTICS Pub Date : 2025-12-10 DOI: 10.1140/epjd/s10053-025-01095-7
Shivankar, Narendra Kumar, Mayank Dimri, Dishu Dawra, Man Mohan, Alok Kumar Singh Jha

The atomic spectral properties of the Li-like Al XI ion embedded in dense plasma environment have been investigated under the combined effects of external electric and magnetic fields. For this purpose, relativistic configuration interaction (RCI) method is employed, incorporating an analytical b-potential along with the electric and magnetic fields. We studied the plasma screening effect on binding energy and transition energy of the low-lying transitions 2s 2S1/2 → 2p 2P1/2,3/2 of Al XI ion. We have also analysed the effect of electric field and plasma screening on the excitation energy levels. Additionally, we investigated plasma screening effect, along with external electric and magnetic fields on the transition probability of different states corresponding to transitions 2s 2S1/2 (± 1/2) → 2p 2P1/2 (± 1/2), 2s 2S1/2 (± 1/2) → 2p 2P3/2 (± 3/2, ± 1/2). Our computed results show good agreement with the energy values available at the National Institute of Standards and Technology (NIST) database.

Graphical abstract

Influence of plasma screening and external fields on the atomic structure of Li-like Al XI ion

在外加电场和磁场的联合作用下,研究了嵌套在致密等离子体环境中的类锂Al - XI离子的原子光谱特性。为此,采用了相对论组态相互作用(RCI)方法,将解析b势与电场和磁场结合在一起。研究了等离子体筛选对Al - XI离子2s 2S1/2→2p 2P1/2,3/2低空跃迁结合能和跃迁能的影响。我们还分析了电场和等离子体筛选对激发能级的影响。此外,我们还研究了等离子体筛选效应,以及外加电场和磁场对2s 2S1/2(±1/2)→2p 2P1/2(±1/2)、2s 2S1/2(±1/2)→2p 2P3/2(±3/2,±1/2)不同态跃迁概率的影响。我们的计算结果与美国国家标准与技术研究所(NIST)数据库中提供的能量值吻合得很好。等离子体筛选和外场对Li-like Al - XI离子原子结构的影响
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引用次数: 0
Dynamics of nonlinear wave of the (3+1)-dimensional Date–Jimbo–Kashiwara–Miwa equation with variable coefficients in inhomogeneous media 非均匀介质中(3+1)维变系数Date-Jimbo-Kashiwara-Miwa方程的非线性波动力学
IF 1.5 4区 物理与天体物理 Q3 OPTICS Pub Date : 2025-12-08 DOI: 10.1140/epjd/s10053-025-01096-6
Salim S. Mahmood, Muhammad Amin S. Murad
<p>This study investigates nonlinear wave propagation in inhomogeneous media governed by the (3+1)-dimensional Date–Jimbo–Kashiwara–Miwa equation with time-dependent variable coefficients. Employing the Hirota bilinear method combined with the long wave limit technique, we systematically construct exact analytical solutions including multi-soliton, lump wave, breather wave, and their hybrid interaction solutions. Unlike prior studies limited to constant-coefficient formulations, we provide the first systematic analysis of how variable coefficient functions <span>(g(t) in {csc (t), sec (t), cosh (t)})</span> fundamentally alter wave dynamics. Our results reveal that periodic coefficients such as <span>(csc (t))</span> and <span>(sec (t))</span> induce temporal modulation and resonance phenomena in soliton interactions, while exponential coefficients like <span>(cosh (t))</span> drive amplitude amplification mechanisms critical for rogue wave formation. We demonstrate that hybrid wave interactions in inhomogeneous media exhibit qualitatively distinct collision dynamics compared to homogeneous cases, including energy redistribution, phase-dependent scattering, and temporal gating effects. These findings directly inform dispersion-managed optical fiber systems where time-varying group velocity dispersion controls pulse propagation, shallow water wave modeling over variable-depth ocean floors where topography-induced inhomogeneity governs tsunami dynamics, and plasma physics applications involving ion-acoustic waves in non-uniform density profiles. The systematic framework established here enables quantitative prediction of nonlinear wave behavior in realistic non-uniform media, advancing both theoretical understanding and practical applications in wave control and nonlinear signal processing.</p><p>This graphical abstract illustrates the rich nonlinear wave dynamics of the (3+1)-dimensional Date–Jimbo–Kashiwara–Miwa (DJKM) equation with variable coefficients in inhomogeneous media. The study employs the Hirota bilinear method combined with the long wave limit technique to derive multiple classes of exact analytical solutions, including multi-soliton, lump, breather, and hybrid interaction structures. The influence of variable coefficients such as <span>(g(t) = {textrm{csc}}(t), {textrm{sec}}(t))</span>, and <span>({textrm{cosh}}(t))</span> on the wave propagation and interaction patterns is analyzed in depth. The results reveal that time-dependent inhomogeneity strongly affects the amplitude, width, and stability of nonlinear structures, providing key insights into energy localization and transfer in optical, fluid, and plasma systems. Graphical Summary: <span>(bullet )</span> Multi-soliton, lump, and breather waves visualized through 2D/3D surface and contour plots. <span>(bullet )</span> Interaction phenomena including soliton–lump, soliton–breather, and lump–breather dynamics. <span>(bullet )</span> Variable coefficients modulate the nonlinear beh
本文研究了非均匀介质中的非线性波传播,该非线性波传播受(3+1)维具有时变系数的Date-Jimbo-Kashiwara-Miwa方程控制。利用Hirota双线性方法结合长波极限技术,系统地构造了包括多孤子、块波、呼吸波及其混合相互作用解在内的精确解析解。与之前的研究局限于常系数公式不同,我们首次系统分析了变系数函数(g(t) in {csc (t), sec (t), cosh (t)})如何从根本上改变波浪动力学。我们的研究结果表明,周期系数如(csc (t))和(sec (t))诱导了孤子相互作用中的时间调制和共振现象,而指数系数如(cosh (t))驱动了对异常波形成至关重要的振幅放大机制。我们证明,与均匀介质相比,非均匀介质中的混合波相互作用在质量上表现出不同的碰撞动力学,包括能量再分配、相依赖散射和时间门控效应。这些发现直接为色散管理光纤系统提供了信息,其中随时间变化的群速度色散控制着脉冲传播,在变深的海底上进行浅水波建模,其中地形引起的不均匀性控制着海啸动力学,以及涉及非均匀密度剖面离子声波的等离子体物理应用。这里建立的系统框架能够定量预测现实非均匀介质中的非线性波动行为,促进波浪控制和非线性信号处理的理论认识和实际应用。这一图形摘要说明了非均匀介质中(3+1)维Date-Jimbo-Kashiwara-Miwa (DJKM)变系数方程的丰富非线性波动动力学。本研究采用Hirota双线性方法结合长波极限技术,导出了多孤子、块状、呼吸子和混合相互作用结构的多类精确解析解。深入分析了(g(t) = {textrm{csc}}(t), {textrm{sec}}(t))、({textrm{cosh}}(t))等变系数对波传播和相互作用模式的影响。结果表明,时间相关的非均匀性强烈影响非线性结构的振幅、宽度和稳定性,为光学、流体和等离子体系统中的能量定位和转移提供了关键的见解。图形摘要:(bullet )通过2D/3D表面和等高线图可视化的多孤子,块状和呼吸波。(bullet )相互作用现象,包括孤子-团,孤子-呼吸和团-呼吸动力学。(bullet )可变系数调制非线性行为,揭示可调谐的传播特性。(bullet )在非线性光学、等离子体波和色散流体系统中的潜在应用。
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引用次数: 0
Fractal dimension and structural evolution in a modified dispersive water wave system 修正色散水波体系的分形维数与结构演化
IF 1.5 4区 物理与天体物理 Q3 OPTICS Pub Date : 2025-12-02 DOI: 10.1140/epjd/s10053-025-01094-8
Prasanta Chatterjee, Saugata Dutta, Gorachand Chakraborty, Kajal Kumar Mondal

The emergence of fractal waveforms in the modified dispersive water wave (MDWW) system, a nonlinear dispersive extension of shallow-water dynamics with recognized analogies in plasma wave theory, is investigated. Through the application of a Riccati-type transformation, the coupled equations are reduced to analytically tractable forms, yielding distinct families of analytic solutions. Subsequently, by imposing auxiliary functional structures involving trigonometric, logarithmic and Jacobi elliptic expressions, these solutions are shown to generate recursive, self-similar waveforms, whose scale-invariant character is established through systematic fractal diagnostics. Successive magnification and voxel and grid-based box-counting computations confirm non-integer fractal dimensions, with robust convergence and statistical validation via relative error, standard error and bootstrap standard deviation. Such consistency across refinement levels establishes stable scaling exponents and rules out numerical artifacts, thereby rigorously demonstrating intrinsic fractal geometry in the MDWW dynamics. From a physical standpoint, such multiscale structures are indicative of how nonlinear dispersive interactions may generate complex spatial organization relevant to turbulent cascades, energy localization and anomalous transport in plasma environments, nonlinear optical media and shallow-water flows. The principal novelty of the work lies in the unified integration of Riccati-based analytic solution construction with quantitative fractal dimension diagnostics and convergence assessment, thereby providing a new analytical–computational framework for probing fine-scale, self-similar behavior in multidimensional dispersive systems of contemporary interest in plasma physics, nonlinear optics, fluid mechanics and wave propagation theory. The results further demonstrate that analytic fractal waveforms can serve as model proxies for structured energy cascades, offering new analytical pathways toward turbulence-inspired modeling and multiscale transport analysis.

Modified dispersive water wave system: fractal dimension and structural evolution

本文研究了修正色散水波(MDWW)系统中分形波形的出现。MDWW是浅水动力学的非线性色散扩展,在等离子体波理论中具有公认的相似性。通过应用riccti型变换,耦合方程被简化为解析可处理的形式,得到不同的解析解族。随后,通过引入涉及三角、对数和Jacobi椭圆表达式的辅助功能结构,这些解被证明产生递归的、自相似的波形,其尺度不变特征通过系统分形诊断建立。连续放大、体素和基于网格的盒计数计算确认了非整数分形维数,具有鲁棒的收敛性,并通过相对误差、标准误差和自举标准差进行了统计验证。这种跨精化水平的一致性建立了稳定的缩放指数,并排除了数值伪像,从而严格地证明了MDWW动力学中固有的分形几何。从物理学的角度来看,这种多尺度结构表明了非线性色散相互作用如何产生与湍流级联、等离子体环境中的能量局域化和异常输运、非线性光学介质和浅水流动相关的复杂空间组织。这项工作的主要新颖之处在于将基于riccati的解析解构建与定量分形维数诊断和收敛性评估统一集成,从而为探索等离子体物理、非线性光学、流体力学和波传播理论中当前感兴趣的多维色散系统的精细尺度、自相似行为提供了一个新的分析计算框架。结果进一步表明,解析分形波形可以作为结构能量级联的模型代表,为湍流模拟和多尺度输运分析提供了新的分析途径。修正色散水波体系:分形维数与结构演化
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引用次数: 0
A fully quantum investigation of the rubidium (D_1) and (D_2) far-wing line shapes provoked by argon atoms 氩原子引起的铷(D_1)和(D_2)远翼线形状的完全量子研究
IF 1.5 4区 物理与天体物理 Q3 OPTICS Pub Date : 2025-11-26 DOI: 10.1140/epjd/s10053-025-01098-4
Hadjer Benmebarek, Nora Lamoudi, Mohamed Tahar Bouazza, Jamila Dhiflaoui, Hamid Berriche

The far-wing photoabsorption and photoemission spectra of the RbAr (D_1) and (D_2) lines provoked by collisions with argon atoms have been determined by adopting a full quantum-mechanical approaches. The calculations have been performed for temperatures ranging from 500 to 3000 K, using two different sets of ab initio potential data points. The effect of temperature and of interatomic potentials on the broadening profiles is then analyzed. The results show that only the free-free transitions are dominant and they revealed the existence of blue satellite features at approximately 740 nm and 750 nm depending on the potential set used. The general shapes of the present simulated spectra are similar to those already measured by many other authors.

采用全量子力学方法测定了与氩原子碰撞引起的RbAr (D_1)和(D_2)线的远翼光吸收和光发射光谱。使用两组不同的从头算电位数据点,在500至3000 K的温度范围内进行了计算。分析了温度和原子间电位对展宽曲线的影响。结果表明,只有自由-自由跃迁占主导地位,并且根据所使用的势集,在大约740 nm和750 nm处存在蓝色卫星特征。目前模拟光谱的一般形状与许多其他作者已经测量到的相似。
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引用次数: 0
Coherent state path integral Monte Carlo 相干状态路径积分蒙特卡罗
IF 1.5 4区 物理与天体物理 Q3 OPTICS Pub Date : 2025-11-22 DOI: 10.1140/epjd/s10053-025-01077-9
Riccardo Fantoni

We propose a new quantum simulation method for a many-body quantum liquid of identical particles at finite (nonzero) temperature. The new scheme expands the high-temperature density matrix on the overcomplete set of single particles coherent states of John Rider Klauder instead of the usual plane waves as in conventional path integral methods. One is free to tune the elastic constant and/or the mass of the harmonic oscillator subtending the coherent states so as to maximize the computational efficiency of the algorithm. We prove that in the limit of an extremely stiff harmonic oscillator the results for the internal energy tend toward the correct expected values. Moreover, we suggest that a stiff harmonic oscillator could allow the use of larger (imaginary) timesteps. This additional degree of freedom is the characteristic feature of our new algorithm and is not available in more conventional path integral methods.

我们提出了一种新的有限(非零)温度下相同粒子的多体量子液体的量子模拟方法。新方案将高温密度矩阵扩展到John Rider Klauder的单粒子相干态的过完备集上,而不是传统路径积分方法中通常的平面波上。人们可以自由地调整对应于相干态的谐振子的弹性常数和/或质量,从而使算法的计算效率最大化。我们证明了在极刚性谐振子的极限下,内能的结果趋向于正确的期望值。此外,我们建议刚性谐振子可以允许使用更大的(虚)时间步长。这种额外的自由度是我们的新算法的特征,在更传统的路径积分方法中是不可用的。
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引用次数: 0
Quantum-mechanical analysis of semi-forbidden transitions and lasing in the titanium atom 钛原子半禁跃迁和激光的量子力学分析
IF 1.5 4区 物理与天体物理 Q3 OPTICS Pub Date : 2025-11-22 DOI: 10.1140/epjd/s10053-025-01093-9
T. V. Koshlan, K. G. Kulikov

In this work, we present a comprehensive quantum-mechanical analysis of the spectral properties of the titanium atom, with emphasis on semi-forbidden (intercombination) electronic transitions. The calculations are performed within density-functional theory (DFT) including spin–orbit coupling, and the Kohn–Sham equations are solved numerically by a conjugate-gradient method, yielding high accuracy at moderate computational cost. Oscillator strengths and transition characteristics are obtained within time-dependent DFT using the Casida formalism, which enables a consistent treatment of correlation effects and multiplet structure. Particular attention is paid to the mechanisms of population inversion and to comparisons between theory and experiment. The results validate the proposed approach and demonstrate its potential for applications to complex atomic systems in astrophysics, materials science, and quantum optics.

Four-level system: optical pumping, laser emission, collisions, and spontaneous decays

在这项工作中,我们对钛原子的光谱特性进行了全面的量子力学分析,重点是半禁止(互合)电子跃迁。在包含自旋-轨道耦合的密度泛函理论(DFT)中进行计算,并采用共轭梯度法对Kohn-Sham方程进行数值求解,计算成本适中,精度较高。振荡器强度和跃迁特性在时间依赖的DFT中使用Casida形式获得,这使得相关效应和多重结构的处理一致。特别注意到人口反转的机制和理论与实验之间的比较。结果验证了所提出的方法,并展示了其在天体物理学、材料科学和量子光学等复杂原子系统中的应用潜力。四能级系统:光泵浦、激光发射、碰撞和自发衰变
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引用次数: 0
Reassessing Gaussian-type orbital and B-spline basis functions for accurate calculations of atomic properties: application to (^{133})Cs 为精确计算原子性质而重新评估高斯型轨道和b样条基函数:在(^{133}) Cs中的应用
IF 1.5 4区 物理与天体物理 Q3 OPTICS Pub Date : 2025-11-17 DOI: 10.1140/epjd/s10053-025-01092-w
Vipul Badhan, Bindiya Arora

The choice of basis functions plays a vital role in performing accurate calculations of atomic properties. An alternative to the commonly used Gaussian-type orbitals (GTOs) is the use of B-spline functions, which offer a highly flexible and efficient basis for representing atomic wave functions. The accuracy of an atomic property depends on the quality of the chosen basis functions used to construct single-particle wave functions. This work aims at revisiting the behavior of GTOs and B-spline functions to use them optimally in different atomic calculations so that it can help reduce computational cost. In this context, we analyze the magnetic-dipole hyperfine constants ((A_{fs})) for a number of atomic states in (^{133})Cs. We first analyze results obtained using GTOs and B-splines, which are often used in the literature, followed by redefining them to improve efficiency in the calculation of atomic properties. Our comparative study reveals that an adaptive distribution of GTOs delivers the best results for low- and intermediate-lying states, whereas a kinetically balanced B-spline basis becomes more reliable for high-lying states, especially when a large number of basis functions are employed.

Efficient basis choice improves accuracy and reduces computational cost in atomic property calculations

基函数的选择对原子性质的精确计算起着至关重要的作用。常用的高斯型轨道(GTOs)的另一种替代方法是使用b样条函数,它为表示原子波函数提供了高度灵活和有效的基础。原子性质的准确性取决于用来构造单粒子波函数所选择的基函数的质量。这项工作旨在重新审视gto和b样条函数的行为,以便在不同的原子计算中最佳地使用它们,从而有助于降低计算成本。在这种情况下,我们分析了(^{133}) Cs中许多原子态的磁偶极子超精细常数((A_{fs}))。我们首先分析了文献中经常使用的gto和b样条得到的结果,然后对它们进行了重新定义,以提高原子性质计算的效率。我们的比较研究表明,自适应gto分布在低洼和中洼状态下提供了最好的结果,而动态平衡b样条基对于高海拔状态更可靠,特别是当使用大量基函数时。有效的基选择提高了原子性质计算的准确性,降低了计算成本
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引用次数: 0
Wigner negativity and nonlocal correlations Wigner负性和非局部相关
IF 1.5 4区 物理与天体物理 Q3 OPTICS Pub Date : 2025-11-10 DOI: 10.1140/epjd/s10053-025-01086-8
Michael E. N. Tschaffon, Matthias Freyberger

We investigate whether negative values of Wigner functions purely coming from correlations are sufficient for observing nonlocal correlations. We employ a simple model for superpositions of coherent states and examine how the corresponding Wigner negativity of correlations relates to the violation of a CHSH inequality based on pseudo-spins. We find that a critical amount of this negativity is necessary to violate the inequality, making a nonzero negativity not sufficient for observing nonlocal correlations.

我们研究了纯粹来自相关的Wigner函数的负值是否足以观察非局部相关。我们采用了一个简单的相干态叠加模型,并研究了相应的Wigner负相关与基于伪自旋的CHSH不等式的违反之间的关系。我们发现这个负性的临界量是违背不等式所必需的,使得非零负性对于观察非局部相关是不够的。
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引用次数: 0
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The European Physical Journal D
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