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The measurement problem in liquid NMR quantum computers 液体核磁共振量子计算机中的测量问题
IF 1.5 4区 物理与天体物理 Q3 OPTICS Pub Date : 2025-10-06 DOI: 10.1140/epjd/s10053-025-01072-0
O. Jalili, M. Heidari Adl

With the quantum state diffusion measurement theory (QSD), the measurement problem in liquid nuclear magnetic resonance (NMR) quantum computers was addressed and then it was shown that due to stochastical fluctuations, the measured magnetic moment value is comparable to noise for long times. Therefore, we suggested that the measurement time should be short to distinguish signal from noise.

QSD in NMR quantum computers.

利用量子态扩散测量理论(QSD)解决了液体核磁共振(NMR)量子计算机中的测量问题,并证明了由于随机波动,测量的磁矩值在很长时间内与噪声相当。因此,我们建议测量时间应短,以区分信号和噪声。核磁共振量子计算机中的QSD。
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引用次数: 0
Interaction of 25 eV electrons with DNA constituents: XPS analysis of calf thymus DNA, nucleosides, and nucleobases 25 eV电子与DNA成分的相互作用:小牛胸腺DNA、核苷和核碱基的XPS分析
IF 1.5 4区 物理与天体物理 Q3 OPTICS Pub Date : 2025-10-06 DOI: 10.1140/epjd/s10053-025-01068-w
João Pereira-da-Silva, Hao Yu, Bo-An Chen, Pitambar Sapkota, Filipe Ferreira da Silva, Sylwia Ptasińska

Understanding the interactions of secondary electrons generated by ionizing radiation provides a fundamental basis for developing strategies in cancer therapy. In this study, we investigated the interactions of 25 eV low-energy electrons (LEEs) with calf thymus DNA and its constituents, four types of nucleosides and nucleobases, using X-ray photoelectron spectroscopy (XPS). Based on the acquisition and analysis of core-level spectra (O 1s, C 1s, N 1s, and P 2p) in DNA, structural changes induced by 25 eV electrons suggest potential site- and base-specific selectivity. These changes may involve hydroxyl (C–OH) group release from the sugar moiety, cleavage of C–N bonds (likely corresponding to N-glycosidic linkages), and phosphate backbone damage in calf thymus DNA. Among the four nucleosides, thymidine and guanosine showed more evident structural modifications, while cytidine and adenosine were relatively stable. In addition, nucleosides displayed greater susceptibility to LEE-induced structural changes than their corresponding nucleobases. This study reveals the selective damage mechanisms of LEEs on various DNA constituents, which may provide mechanistic insights for future developments in precision cancer therapy based on molecular-level damage.

Graphical abstract

了解电离辐射产生的二次电子的相互作用为制定癌症治疗策略提供了基础。本研究利用x射线光电子能谱(XPS)研究了25 eV低能电子(LEEs)与小牛胸腺DNA及其组分(4种核苷和核碱基)的相互作用。基于DNA核能级光谱(O 1s, C 1s, N 1s和P 2p)的采集和分析,25 eV电子诱导的结构变化表明潜在的位点和碱基特异性选择性。这些变化可能涉及羟基(C-OH)基团从糖部分释放,C-N键的断裂(可能对应于n -糖苷键),以及小牛胸腺DNA中磷酸盐骨干的损伤。四种核苷中胸苷和鸟苷的结构变化较为明显,胞苷和腺苷的结构变化相对稳定。此外,核苷比其相应的核碱基更容易受到lee诱导的结构变化的影响。该研究揭示了LEEs对不同DNA成分的选择性损伤机制,为未来基于分子水平损伤的精准癌症治疗提供了机制见解。图形抽象
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引用次数: 0
Highly accurate calculation of the hyperpolarizabilities of hydrogenic atoms interacting with screened Coulomb potentials: a variation–perturbation approach 与筛选库仑势相互作用的氢原子超极化率的高度精确计算:一种变差摄动方法
IF 1.5 4区 物理与天体物理 Q3 OPTICS Pub Date : 2025-10-06 DOI: 10.1140/epjd/s10053-025-01073-z
Santu Ghosh, Arijit Ghoshal

Variational expressions for functionals yielding the second-order and fourth-order corrections to the nondegenerate eigenenergies of a Hamiltonian subject to a given perturbation have been derived. Discrete basis sets consisting of the suitably chosen eigenfunctions of the unperturbed Hamiltonian along with a nonlinear variational parameter can be used to evaluate the stationary functional quite accurately. The method has been applied conveniently to calculate the dipole hyperpolarizabilities of the hydrogenic atoms interacting with screened Coulomb potentials (SCP) quite accurately. Three SCPs are considered, namely the static screened Coulomb potential, the exponential cosine screened Coulomb potential and the generalized exponential cosine screened Coulomb potential. It is found that a basis set consisting of 20 eigenfunctions of the p-states of the hydrogenic atoms yields stationary functional corresponding to the second-order correction to the energy, whereas a basis set consisting of 20 d-state eigenfunctions and 19 s-state eigenfunctions of the hydrogenic atoms produces stationary functional corresponding to the fourth-order correction to the energy. Moreover, the stationary values of the functionals are highly accurate (up to 14th place of decimal) and converge rapidly with the increase in the number of terms in the basis sets.

对哈密顿函数在给定扰动下的非简并特征能给出二阶和四阶修正的泛函变分表达式。由适当选择的无扰动哈密顿函数的特征函数和非线性变分参数组成的离散基集可以相当精确地计算平稳泛函。该方法可方便地计算出与筛选库仑势相互作用的氢原子的偶极子超极化率。考虑了静态屏蔽库仑势、指数余弦屏蔽库仑势和广义指数余弦屏蔽库仑势这三种电位。研究发现,由20个氢原子p态本征函数组成的基集产生的平稳泛函对应于能量的二阶修正,而由20个氢原子d态本征函数和19个氢原子s态本征函数组成的基集产生的平稳泛函对应于能量的四阶修正。此外,函数的平稳值具有很高的精度(可达小数点后14位),并且随着基集中项数的增加而迅速收敛。
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引用次数: 0
The effect of space restriction on the bonding and vibrational properties of H(_{2}^{+}) molecular ion 空间限制对H (_{2}^{+})分子离子成键和振动特性的影响
IF 1.5 4区 物理与天体物理 Q3 OPTICS Pub Date : 2025-09-30 DOI: 10.1140/epjd/s10053-025-01062-2
Claude Le Sech, Arup Banerjee

When the space surrounding an atom or molecule is restricted, its electron density is modified compared to its unrestricted counterpart, which further alters its physical and chemical properties. To model the effect of space restriction, or confinement, on atoms and molecules, often the hard-boundary condition is employed to solve the corresponding Schrödinger equation. In the present work, we analyze the modifications in a chemical bond when the space surrounding the molecule is restricted such that some part of the space is forbidden to the electrons. To this end, we choose the simplest hydrogen molecular ion H(_{2}^{+}), in the presence of an external hard-sphere simulating the restriction of space available to the electrons due to Pauli exclusion by an atom close to the molecule. The hard-sphere is moved along the molecular axis and the axis transverse to it to study the changes in the ground-state energy, stretching frequency, kinetic, and potential energies of an H(_{2}^{+}) molecule. For this purpose, we employ a variational approach using a suitably constructed energy estimator that goes beyond the Born–Oppenheimer approximation. We find that as the sphere moves closer to the molecule along the molecular axis, the ground-state energy and the vibrational frequencies get enhanced. On the other hand, for the same case, the potential energy decreases, and the kinetic energy increases. When the sphere moves along the axis transverse to the molecular axis, the changes in the energy and vibrational frequencies show similar trends; however, the magnitude of the changes is significantly smaller than in the corresponding molecular axis case. For the transverse case, both potential and kinetic energies get enhanced marginally. These results demonstrate that the axial approach of the hard surface is more efficient in inducing a bond breaking of the H(_{2}^{+}) molecular ion. The shift of the electron bond by the external sphere explains these results.

当一个原子或分子周围的空间受到限制时,它的电子密度与不受限制的电子密度相比会发生改变,这进一步改变了它的物理和化学性质。为了模拟空间限制或约束对原子和分子的影响,通常采用硬边界条件来求解相应的Schrödinger方程。在目前的工作中,我们分析了当分子周围的空间受到限制,使得某些空间禁止电子进入时,化学键中的修饰。为此,我们选择了最简单的氢分子离子H (_{2}^{+}),在外部硬球的存在下,模拟了由于泡利不相容而导致的电子可用空间的限制。将硬球沿分子轴及其横向轴移动,研究H (_{2}^{+})分子的基态能量、拉伸频率、动能和势能的变化。为此,我们采用了一种变分方法,使用了一个适当构造的能量估计器,超出了Born-Oppenheimer近似。我们发现,当球沿分子轴向分子靠近时,基态能量和振动频率得到增强。另一方面,对于同样的情况,势能减小,动能增大。当球沿分子轴横向运动时,能量和振动频率的变化也表现出类似的趋势;然而,变化幅度明显小于相应的分子轴情况。在横向情况下,势能和动能都略微增大。这些结果表明,硬表面的轴向方法更有效地诱导H (_{2}^{+})分子离子的键断裂。外部球体对电子键的移动解释了这些结果。
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引用次数: 0
Density matrix analysis of systems with periodic Hamiltonians 具有周期哈密顿量系统的密度矩阵分析
IF 1.5 4区 物理与天体物理 Q3 OPTICS Pub Date : 2025-09-29 DOI: 10.1140/epjd/s10053-025-01070-2
Soham Sen, Manjari Dutta, Sunandan Gangopadhyay

In this work, we consider simple systems that are governed by Hamiltonians with time periodicity. Our analysis is mainly focused on the density matrix approach and aims to solve the von Neumann equation of motion from which one can extract the state of the system when the system is in a pure state. We start our analysis with the standard Rabi-oscillation problem. We consider a density matrix corresponding to the entire model system and solve the von Neumann equation of motion. We have then made use of the Lewis-Reisenfeld invariant approach and arrived at the exact same result, which implies that the density matrix of the system can indeed be identified with the Lewis invariant. Then, we consider a two-level system with a constant magnetic field in the z-direction and a time-dependent magnetic field in the x-direction. We solve the von Neumann equation of motion for this system and calculate the various coherence measures, and plot them to investigate the time dependence and reliability of different coherence measures.

Correspondence between the density operator and the Lewis invariant operator of the system

在这项工作中,我们考虑由具有时间周期性的哈密顿量控制的简单系统。我们的分析主要集中在密度矩阵方法上,旨在求解冯·诺伊曼运动方程,从中可以提取系统处于纯态时的状态。我们从标准拉比振荡问题开始分析。我们考虑一个与整个模型系统相对应的密度矩阵,并求解了运动的冯·诺伊曼方程。然后我们利用Lewis- reisenfeld不变量方法得到了完全相同的结果,这意味着系统的密度矩阵确实可以用Lewis不变量来标识。然后,我们考虑一个两能级系统,在z方向上具有恒定磁场,在x方向上具有随时间变化的磁场。我们求解了该系统的von Neumann运动方程,计算了各种相干测度,并绘制了它们的图,以研究不同相干测度的时间依赖性和可靠性。系统的密度算子与路易斯不变算子的对应关系
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引用次数: 0
Elastic and charge transfer cross sections for low to ultralow (textrm{H}(1s)+textrm{H} ^{+}) collisions: quantal and semiclassical calculations 低至超低(textrm{H}(1s)+textrm{H} ^{+})碰撞的弹性和电荷转移截面:量子和半经典计算
IF 1.5 4区 物理与天体物理 Q3 OPTICS Pub Date : 2025-09-29 DOI: 10.1140/epjd/s10053-025-01059-x
Mykhaylo Khoma

The elastic scattering and resonant charge transfer differential and integral cross sections in (textrm{H}(1s) + mathrm{H^+}) collisions are computed for the center-of-mass energy range of (10^{-10}-10) eV. Fully quantal and semiclassical approaches are utilized in these calculations. The reliability of the semiclassical approximation for very low collision energies is discussed. The results are compared with available data from the literature.

在(10^{-10}-10) eV的质心能量范围内,计算了(textrm{H}(1s) + mathrm{H^+})碰撞中的弹性散射和共振电荷转移微分截面和积分截面。在这些计算中使用了全量子和半经典方法。讨论了在极低碰撞能量条件下半经典近似的可靠性。结果与文献中的现有数据进行了比较。
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引用次数: 0
Kinetic Alfvén solitary waves in multi-species magnetoplasma with Tsallis-distributed electrons and positrons 具有tsallis分布电子和正电子的多种磁等离子体中的动力学alfv<s:1>孤波
IF 1.5 4区 物理与天体物理 Q3 OPTICS Pub Date : 2025-09-27 DOI: 10.1140/epjd/s10053-025-01063-1
M. Sarker, M. M. Hasan, M. G. Shah, M. R. Hossen, A. A. Mamun

The nonlinear dynamics of plasma waves in multi-species magnetized systems is of great importance for understanding energy transport and particle interactions in both astrophysical and laboratory environments. This study investigates heavy ion-acoustic kinetic Alfvén solitary waves (HIAKASWs) in a magnetized plasma composed of inertial thermal heavy ions and non-extensive electron–positron pairs. Using the reductive perturbation method, we derive both the Korteweg–de Vries (K-DV) and modified Korteweg–de Vries (MK-DV) equations, which capture the balance between dispersion and nonlinearity, and analyze their soliton solutions under different plasma conditions. The electron and positron populations are described by Tsallis non-extensive statistics, allowing exploration of deviations from Maxwellian behavior. The analysis reveals that the K-DV equation admits both compressive and rarefactive solitary structures, while the higher-order MK-DV formulation supports only compressive modes. Parametric investigations demonstrate that heavy ion thermal pressure and inertia play a dominant role in shaping wave amplitude and width compared to electron and positron effects. The results highlight the influence of non-extensivity, magnetic field strength, and propagation angle on solitary wave characteristics, with implications for plasma dynamics in astrophysical and laboratory environments.

The plots highlight the effects of (beta ), (gamma ), and heavy ion density on dispersion, nonlinearity, and electrostatic potential of K-DV and MK-DV solitons, relevant to astrophysical and laboratory plasmas.

多组分磁化系统中等离子体波的非线性动力学对于理解天体物理和实验室环境中的能量输运和粒子相互作用具有重要意义。本文研究了由惯性热重离子和非扩展电子-正电子对组成的磁化等离子体中的重离子-声学动力学alfv孤波(HIAKASWs)。利用约化微扰方法,导出了反映色散与非线性平衡的Korteweg-de Vries (K-DV)方程和修正Korteweg-de Vries (MK-DV)方程,并分析了它们在不同等离子体条件下的孤子解。电子和正电子居群是由Tsallis的非广泛统计描述的,允许探索偏离麦克斯韦行为。分析表明,K-DV方程同时承认压缩和稀薄孤立结构,而高阶MK-DV公式只支持压缩模态。参数研究表明,与电子和正电子效应相比,重离子热压和惯性对波的振幅和宽度的形成起主导作用。结果强调了非广泛性、磁场强度和传播角对孤立波特性的影响,对天体物理和实验室环境中的等离子体动力学具有重要意义。图中突出了(beta )、(gamma )和重离子密度对K-DV和MK-DV孤子色散、非线性和静电势的影响,这些都与天体物理和实验室等离子体有关。
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引用次数: 0
Obliquely propagating nonlinear modes associated with ion-acoustic waves in a magnetized dissipative plasma with trapped electrons 在具有捕获电子的磁化耗散等离子体中与离子声波相关的斜传播非线性模式
IF 1.5 4区 物理与天体物理 Q3 OPTICS Pub Date : 2025-09-25 DOI: 10.1140/epjd/s10053-025-01067-x
S. Sultana, K. Habib, M. R. Hassan

A three-component magnetized plasma consisting of inertial positive and negative ions, and non-inertial trapped electrons following the Schamel distribution function, is considered in the presence of wave dissipation factors: collisionality and fluid kinematic viscosity. A nonlinear modified Korteweg-de Vries-Burgers (mKdVB) equation is derived by employing the reductive perturbation approach, and the solitary and shock wave solutions are obtained via the tangent-hyperbolic (tanh) method. The influences of the nonlinear and dispersion coefficients via plasma parameters -the angle of obliqueness, the positive-to-negative ion number density, the negative-to-positive ion mass, the magnitude of the external magnetic field, and dissipation coefficients (arises due to the ion-neutral collision and ion fluid viscosity) on the formation and characteristics of the nonlinear obliquely propagating ion-acoustic solitary, solitonic-shock, and shock waves (monotonic and oscillatory) are theoretically and numerically analyzed. The numerical results might aid in a better understanding of how solitary and shock waves originate and propagate in plasmas with positive and negative ions in the presence of trapped particles.

考虑了一个由惯性正离子和负离子组成的三组分磁化等离子体,以及遵循Schamel分布函数的非惯性俘获电子,并考虑了波耗散因素:碰撞和流体运动粘度。采用约化微扰法导出了非线性修正Korteweg-de Vries-Burgers (mKdVB)方程,并通过切双曲(tanh)法得到了方程的孤波解和激波解。非线性和色散系数通过等离子体参数——倾斜角、正负离子数密度、正负离子质量、外磁场大小和耗散系数(由离子中性碰撞和离子流体粘度引起)对非线性斜传播离子声孤立、孤子激波的形成和特性的影响。并对激波(单调激波和振荡激波)进行了理论和数值分析。数值结果可能有助于更好地理解孤波和激波是如何在带正离子和负离子的等离子体中产生和传播的。
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引用次数: 0
Publisher Correction: Hyperfine structure constants for neutral and singly ionized manganese using Fourier transform spectra 使用傅里叶变换光谱分析中性和单离子锰的超精细结构常数
IF 1.5 4区 物理与天体物理 Q3 OPTICS Pub Date : 2025-09-24 DOI: 10.1140/epjd/s10053-025-00968-1
Hongfeng Zheng, Die Fang, Liguang Jiao, Xiaolei Che, Zhenwen Dai
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引用次数: 0
The calculation of the equation of state, composition and electrical conductivity of dense lead plasma 密铅等离子体的状态、组成和电导率方程的计算
IF 1.5 4区 物理与天体物理 Q3 OPTICS Pub Date : 2025-09-21 DOI: 10.1140/epjd/s10053-025-01064-0
Aleksei S. Shumikhin

The paper proposes a chemical model for describing of the thermophysical and transport properties of dense plasmas. In this model, plasma consists of weakly interacting electrons, ions, atoms, molecules and molecular ions, and two- and threefold ionized atoms. Corrections for charge–charge and charge–atom interactions were analyzed. The Debye approximation in the Grand canonical ensemble is used to take into account the charge–charge interaction. We showed that the interaction between charges plays a significant role in the calculation of the plasma properties. The caloric and thermal equations of state and composition of the lead plasma were calculated. The calculation results obtained from the suggested model have demonstrated satisfactory agreement with the experimental data on the equation of state and the electrical resistivity measured recently for a dense plasma of lead.

本文提出了一个描述致密等离子体热物理性质和输运性质的化学模型。在这个模型中,等离子体由弱相互作用的电子、离子、原子、分子和分子离子以及二倍和三倍电离的原子组成。分析了电荷-电荷和电荷-原子相互作用的修正。用大正则系综中的德拜近似来考虑电荷-电荷相互作用。我们证明了电荷之间的相互作用在等离子体性质的计算中起着重要的作用。计算了铅等离子体的状态方程和组成方程。该模型的计算结果与铅致密等离子体的状态方程和电阻率的实验数据吻合较好。
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引用次数: 0
期刊
The European Physical Journal D
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