Nonrelativistic Research Articles

Range Separation Method for Density Functional Theory Based on Two-Electron Infinite-Order Two-Component Hamiltonian.

The range separation method for density functional theory (DFT) was extended to a two-component relativistic theory based on the unitary transformation of one- and two-electron operators and a density operator. In the framework of the spin-free infinite-order two-component Hamiltonian, we implemented several types of two-electron integrals of range-separated two-electron interactions arising from the unitary transformation. Numerical assessments were performed using long-range-corrected (LC)-DFT, which utilizes the range separation of an exchange functional. The present method successfully reproduced the reference values obtained by the four-component LC-DFT calculations when the whole unitary transformations of one-electron, full-range, and range-separated two-electron operators and a density operator were considered. An efficient scheme for the unitary transformation, which is termed the local unitary transformation (LUT), was also applied to the range-separated two-electron term and other operators. The LUT method reduced the computational costs of the LC-DFT calculations significantly without any loss of accuracy.

PENGETAHUAN LOKAL MASYARAKAT TEMANGGUNG DALAM BASA TEMANGGUNGAN (SEBUAH TELISIK ETNOLINGUISTIK)

This study aims to use an ethnolinguistic viewpoint and a phenomenological approach to explain the meaning of linguistic units in the Javanese Temanggung dialect. This is in line with the theory of language relativity put forward by Humbolt thesis of language relativity, which claims that there is a link between society, language, and culture, and that each language includes a unique world view. The core data in this study are the linguistic expressions in Basa Temanggungan video, and the secondary data are key informant confirmation and verification results regarding the meaning of lingual units found in the video.The findings suggest that language expressions can describe people's local knowledge based on their culture. The term usel, for example, refers to donated money that is wrapped in a little envelope and given to the host when attending a celebration. It is termed usel because it is offered to the host by slipping it into the host’s hand. The habit of small chat is still very prominent in Javanese society, the host receives the donation with small conversation as if he were about to decline it, forcing the giver to push the host to accept it by tucking it in. The word usel is only used by Temanggung people, not by individuals from other communities.

Semi-inclusive two-nucleon emission in (anti) neutrino charged current scattering within the relativistic mean field framework

This paper delves into the distribution of semi-inclusive events involving the emission of two nucleons in (anti) neutrino charged-current scattering. The analysis is conducted within the framework of relativistic mean-field theory applied to nuclear matter. To quantify the likelihood of such semi-inclusive events occurring, we employ a relativistic model of meson-exchange currents that aligns with the 2p2h inclusive cross section. The outcomes are presented in terms of onefold and twofold integrated semi-inclusive cross sections. To highlight disparities among the various emission channels, including proton-proton, neutron-proton, and neutron-neutron, we compare them against a purely phase-space isotropic distribution within the center of mass of the two nucleons. These comparisons reveal significant differences in the event distributions, shedding light on the distinctive characteristics of each channel. Published by the American Physical Society 2024

Scalar field, nucleon structure and relativistic chiral theory for nuclear matter

Scalar field, nucleon structure and relativistic chiral theory for nuclear matter

On the Time-Dilation Paradox—Can it be Removed?

In special relativity theory, the velocity of light is assumed to be constant, independent of the reference frame. This creates paradoxes when observations in different reference frames are compared. The so-called twin-paradox is based on a Gedanken experiment with identical twins, one traveling in a spaceship and one remaining on Earth. Due to the time-dilation effect, the traveling twin, when returning to Earth is younger than the other twin. This paradox has been tentatively resolved by inserting asymmetry, but the fully symmetrical twin-paradox remains within the relativity theory. However, if the light velocity, instead of being absolute, is taken to be relative, the paradox can be resolved. By reevaluating the light-clock experiment and performing various other Gedanken experiments, it becomes apparent that constant movement, independent of velocity, is the same as “at rest” for any one reference frame and does not need to involve any relativistic effects. This would make the Lorentz–Voigt factor void, and red- and blue-shifts of electromagnetic (EM) radiation can be explained as true changes in light-velocities. Based on thinking experiments, new rules for light-velocities are proposed, which also could explain anomalous observations regarding Jupiter’s moon Io’s movement. Gravity and its effect on light are examined, and it is argued that planetary lensing of light can be simply explained as refraction in a planet’s atmosphere or by diffraction on the planet itself. Further, the light pressure can resolve the indistinguishability principle. Alternatives to relativity explanations are suggested for several observations that nullify Fresnel dragging and oppose the existence of an aether medium. A modified Mach–Zehnder interferometer is proposed as an instrument for measuring sub-c and super-c velocities of EM-waves. The “old” relativity theories are replaced by a novel postulate that an applied force, leading to changes in velocity, is the reason for time-dilation: what may be called mechanical relativity. A mathematical suggestion of mechanical relativity is presented, along with discussions on connections between time, energy, and gravity.

Extension of the Schwarzschild black hole solution in f(R) gravitational theory and its physical properties

The successes of f(R) gravitational theory as a logical extension of Einstein’s theory of general relativity (GR) encourage us to delve deep into this theory and continue our study to attempt to derive an extension of the Schwarzschild black hole (BH) solution. In this study, in order to solve the output nonlinear differential equation, we closed the form of the system by assuming the derivative of f(R) with respect to the scalar curvature R to have the form F(r)=df(R(r))dR(r)=1-αr4\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$F(r)=\\frac{\ extrm{d}f(R(r))}{\ extrm{d}R(r)}=1- \\frac{\\alpha }{r^4}$$\\end{document}, where α\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\alpha $$\\end{document} is a dimensional constant. Our study shows that when α→0\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\alpha \\rightarrow 0$$\\end{document}, we obtain the Schwarzschild BH solution of GR assuming some constraints on the constant of integration, and if these constraints are bounded, we obtain the anti-de Sitter (AdS)/de Sitter (dS) spacetime. For the general case, i.e., when α≠0\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\alpha \ e 0$$\\end{document}, we obtain a BH solution that tends asymptotically to AdS/dS spacetime. Moreover, we derive the timelike and null particle geodesics of the BH solution studied in this article. The equation of motion and effective potential of test particles are calculated to study the stability of radial orbits (trajectories). The energy and angular momentum are calculated to study the circular motion and stability of circular orbits. We also derive the stability condition using the geodesic deviation. Moreover, we discuss the physics of the output BH solutions through calculation of the thermodynamic quantities including entropy, the Hawking temperature, and Gibbs free energy. Finally, we check the validity of the first law of thermodynamics applied to the BH of this study. Although we can derive a Schwarzschild black hole solution in the lower order of f(R), specifically when f(R)=R\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$f(R)=R$$\\end{document}, where the gravitational mass is generated from the source of gravity, we demonstrate that in the higher orders of f(R), when f(R)≠R\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$f(R)\ e R$$\\end{document}, the source of gravity is attributed primarily to higher-order corrections, and the source of gravity that was originally derived from the Schwarzschild black hole has ceased to be dominant.

Relativistic constitutive modeling of inelastic deformation of continua moving in space-time

Since Einstein introduced the theory of relativity, several scientific observations have proven that it thoroughly approximates the motion of materials in space-time. Thus, efforts have been made to expand classical continuum mechanics to relativistic continuum models to consider relativistic effects. However, most models consider only the elastic range without accounting for inelastic deformation. A relativistic inelasticity model should provide objective measures of the inelastic deformation for different observers with nonzero relative velocities over a wide speed range, even when the moving speed is close to the speed of light. This study presents a mathematical modeling structure of the relativistic constitutive equations of the inelastic deformation of a material moving over a wide speed range to provide objective measures for observers. In this model, the deformation tensors of classical mechanics are expanded to four-dimensional tensors (referred to relativistic Cauchy–Green deformation tensors) in space-time, based on which constitutive equations of inelastic deformation are introduced. The four-dimensional tensors are objective about the homogeneous Lorentz transformation in the Minkowski space-time, and the material dissipation, determined employing the proposed modeling of inelastic deformation, satisfies the second law of thermodynamics. In addition, an example illustrates the application of this theory by explaining the physical meaning of modeling. Finally, it is also demonstrated that the proposed relativistic inelasticity model collapses into a classical inelasticity model when the speed of motion is much slower than the speed of light.

Generalized Ginsparg-Wilson relations

We give a general derivation of Ginsparg-Wilson relations for both Dirac and Majorana fermions in any dimension. These relations encode continuous and discrete chiral, parity and time-reversal anomalies and will apply to the various classes of free-fermion topological insulators and superconductors (in the framework of a relativistic quantum field theory in Euclidean spacetime). We show how to formulate the exact symmetries of the lattice action and the relevant index theorems for the anomalies. Published by the American Physical Society 2024

Borges and the Subjective-Idealism in Relativity Theory and Quantum Mechanics

Borges and the Subjective-Idealism in Relativity Theory and Quantum Mechanics

Fast computation approach of electron-impact ionization and excitation cross-sections for atoms and ions with medium- and high-<i>Z</i> elements

The atomic data of medium- and high-<i>Z</i> elements, such as electron-impact ionization and excitation cross-sections, possess extensive applications in fields such as fusion science and X-ray interactions with matter. There are atoms and ions in high energy density plasma, with different charge states and energy states ranging from ground states to highly excited states, and the cross-sections of each charge state and energy state need to be calculated. The bottlenecks limiting computational performance are the inevitable relativistic effects of medium- and high-<i>Z</i> elements and the extremely complex electronic configurations. Taking tantalum (Ta) for example, by using the relativistic Dirac-Fock theory and distorted wave model, we compute the electron-impact ionization and excitation cross-sections of Ta from the ground state atom up to Ta<sup>72+</sup> with the incident electron energy range of 1–150 keV. The detailed configuration accounting (DCA) reaction channel cross-sections are derived by summing and weighting the original detailed level accounting (DLA) cross-sections. After examining the data, two regularities are found. In terms of DLA, the pre-averaging DCA cross-sections have varying initial DLA energy levels but are typically close to each other. There is not a straightforward function that can explain the discrepancies between them. In terms of DCA, inner subshells typically contribute very little to the total cross-section as their ionization and excitation cross-sections are orders of magnitude smaller than those of outer subshells. We provide two techniques to reduce the computational costs based on the regularities. To minimize the total number of DLA reaction channels used in the computation, the initial DLA energy levels can be randomly sampled. Through a Monte Carlo numerical experiment, we determine the appropriate number of sampling points that can reduce the total number of DLA channels by an order of magnitude while maintaining a 5% error margin. In terms of impact ionization, since small cross-section DCA channels are insignificant, only a tiny portion of the DCA channels are required to preserve a 95% accuracy of the entire cross-section. It is possible to use the analytical Binary Encounter Bethe (BEB) formula to determine which DCA channels should be neglected before the computation to reduce computational costs. In terms of electron-impact excitation, just the cross-sections of the same excited subshells as the preserved ionized subshells, which are determined in the previous electron-impact ionization (EII) calculations, are needed. Finally, we compare our EII results with theoretical and experimental results. In the low incident electron energy range of below 2 keV, our results accord with the theoretical result of the 6s EII cross-section of the Ta atom and the experimental result of the total EII cross-section of the Ta<sup>1+</sup> ion. In the high energy range of below 150 keV, our results are also consistent with the theoretical result of the 1s EII cross-section of the Ta atom and the experimental result of the 1s EII cross-section of the Cu atom. Our results reasonably match the previous experimental and theoretical results in low-energy range and high-energy range, inner subshell and outer subshell, indicating the accuracy of our calculation. The proposed optimizing strategy can be applied to various medium- to high-<i>Z</i> elements and is compatible to most computation codes.

Isoscalar giant resonances of <inline-formula><tex-math id="M1">\begin{document}$^{{\bf{18}}}_{{\boldsymbol{\Lambda\Lambda}}}{\bf{O}}$\end{document}</tex-math><alternatives><graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="4-20231531_M1.jpg"/><graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="4-20231531_M1.png"/></alternatives></inline-formula> in relativistic approach

The interactions between hyperon-nucleon and hyperon-hyperon have been an important topic in strangeness nuclear physics, which play an important role in understanding the properties of hypernuclei and equation of state of strangeness nuclear matter. It is very difficult to perform a direct scattering experiment of the nucleon and hyperon because the short lifetime of the hyperon. Therefore, the hyperon-nucleon interaction and the hyperon-hyperon interaction have been mainly investigated experimentally by <inline-formula><tex-math id="M4">\begin{document}$\gamma$\end{document}</tex-math><alternatives><graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="4-20231531_M4.jpg"/><graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="4-20231531_M4.png"/></alternatives></inline-formula> spectroscopy of single-<inline-formula><tex-math id="M5">\begin{document}$\Lambda$\end{document}</tex-math><alternatives><graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="4-20231531_M5.jpg"/><graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="4-20231531_M5.png"/></alternatives></inline-formula> hypernuclei or double-<inline-formula><tex-math id="M6">\begin{document}$\Lambda$\end{document}</tex-math><alternatives><graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="4-20231531_M6.jpg"/><graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="4-20231531_M6.png"/></alternatives></inline-formula> hypernuclei. There are also many theoretical methods developed to describe the properties of hypernuclei. Most of these models focus mostly on the ground state properties of hypernuclei, and have given exciting results in producing the banding energy, the energy of single-particle levels, deformations, and other properties of hypernuclei. Only a few researches adopting Skyrme energy density functionals is devoted to the study of the collective excitation properties of hypernuclei. In present work, we have extended the relativistic mean field and relativistic random phase approximation theories to study the collective excitation properties of hypernuclei, and use the methods to study the isoscalar collective excited state properties of double <inline-formula><tex-math id="M7">\begin{document}$\Lambda$\end{document}</tex-math><alternatives><graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="4-20231531_M7.jpg"/><graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="4-20231531_M7.png"/></alternatives></inline-formula> hypernuclei. First, the effect of <inline-formula><tex-math id="M8">\begin{document}$\Lambda$\end{document}</tex-math><alternatives><graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="4-20231531_M8.jpg"/><graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="4-20231531_M8.png"/></alternatives></inline-formula> hyperons on the single-particle energy of <sup>16</sup>O and <inline-formula><tex-math id="M9">\begin{document}$^{18}_{\Lambda\Lambda}{\rm{O}}$\end{document}</tex-math><alternatives><graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="4-20231531_M9.jpg"/><graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="4-20231531_M9.png"/></alternatives></inline-formula> are discussed in the relativistic mean field theory, the calculations are performed within TM1 parameter set and related hyperon-nucleon interaction, and hyperon-hyperon interaction. We find that it gives a larger attractive effect on the <inline-formula><tex-math id="M10">\begin{document}${{\mathrm{s}}}_{1/2}$\end{document}</tex-math><alternatives><graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="4-20231531_M10.jpg"/><graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="4-20231531_M10.png"/></alternatives></inline-formula> state of proton and neutron, while gives a weaker attractive effect on the state around Fermi surface. The self-consistent relativistic random phase approximation is used to study the collectively excited state properties of hypernucleus <inline-formula><tex-math id="M11">\begin{document}$^{18}_{\Lambda\Lambda}{\rm{O}}$\end{document}</tex-math><alternatives><graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="4-20231531_M11.jpg"/><graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="4-20231531_M11.png"/></alternatives></inline-formula>. The isoscalar giant monopole resonance and quadrupole resonance are calculated and analysed in detail, we pay more attention to the effect of the inclusion of <inline-formula><tex-math id="M12">\begin{document}$\Lambda$\end{document}</tex-math><alternatives><graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="4-20231531_M12.jpg"/><graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="4-20231531_M12.png"/></alternatives></inline-formula> hyperons on the properties of giant resonances. Comparing with the strength distributions of <sup>16</sup>O, changes of response function of <inline-formula><tex-math id="M13">\begin{document}$^{18}_{\Lambda\Lambda}{\rm{O}}$\end{document}</tex-math><alternatives><graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="4-20231531_M13.jpg"/><graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="4-20231531_M13.png"/></alternatives></inline-formula> are evidently found both on the isoscalar giant monopole resonance and quadrupole resonance. It is shown that the difference comes mainly from the change of Hartree energy of particle-hole configuration and the contribution of the excitations of <inline-formula><tex-math id="M14">\begin{document}$\Lambda$\end{document}</tex-math><alternatives><graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="4-20231531_M14.jpg"/><graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="4-20231531_M14.png"/></alternatives></inline-formula> hyperons. We find that the hyperon-hyperon residual interactions have small effect on the monopole resonance function and quadrupole response function in the low-energy region, and have almost no effect on the response functions in the high-energy region.

On the Vacuum State of Relativistic Quantum Field Theories

On the Vacuum State of Relativistic Quantum Field Theories

МОЛЕКУЛЯРНЫЙ ИОН ВОДОРОДА𝑯𝟐+. МАГНИТНЫЕ M1 ПЕРЕХОДЫ

The magnetic dipole transitions in the homonuclear molecular ion 𝐻2+are obtained for a range ofand L, vibrational and total orbital momentum quantum numbers, respectively. Calculations are performed in the nonrelativistic approximation. The effects of the ion spin structure on M1 transitions are also considered. Numerical calculations were carried out on the basis of “exponential” variational expansion. One of the simplest and most fully developed areas of application of quantum mechanics is the theory of atoms with one or two electrons. For hydrogen and hydrogen-like ions, calculations can be performed strictly in both Schrödinger's non-relativistic wave mechanics and Dirac's relativistic electron theory. The exact calculations are rigorous for an electron at a fixed Coulomb potential. Therefore, the hydrogen-like atom provides an excellent material for testing the validity of quantum mechanics. For such an atom, the correction terms that take into account the motion and structure of the atomic nucleus, as well as quantum electrodynamic effects, are small and can be calculated with great accuracy. Since the energy levels of hydrogen and hydrogen-like atoms can be experimentally studied with anamazing degree of accuracy, it turns out that it is possible to test the correctness of quantum electrodynamics to some extent accurately.

High-valent actinyl (AnO2; An = U, Np and Pu) complexation with TEtraQuinoline (TEQ) ligand - a DFT study.

A recently synthesised novel macrocycle composed of four quinoline units called TEtraquinoline (TEQ) (J. Am. Chem. Soc., 2023, 145(4), 2609-2618) was reported to exhibit transition metal complexation ability. Meanwhile, there is a growing interest in different binding motifs for radioactive and toxic actinides. In this study, we modelled high-valent actinyl (AnO2)n+, An = U, Np, Pu; n = 1, 2, 3 complexes of TEQ and studied their geometric and electronic properties using scalar relativistic density functional theory (SR-DFT). The calculated results showed that the equatorial An-N and axial AnO bonds were polar bonds with a high degree of covalence, the former being longer than the latter. Natural bond orbital (NBO) analysis of the An-N bond orders decreased from complexes of uranyl to plutonyl and from complexes of heptavalent to pentavalent actinyls. This was due to the localization of the 5f orbital in the heavier actinyl and the high charge on An. The charge analysis showed a ligand-to-metal charge transfer (LMCT) on complexation. It was interesting to observe metal-to-ligand spin delocalization only in the [AnVI/VIIO2L]2+/3+ complexes, where the spin density on An was observed to increase on complexation. Based on the assigned oxidation states, it was observed that the heptavalent neptunyl cation retained its formal high oxidation state on complexation with TEQ. The energetics associated with the formation reaction of all the actinyl-TEQ complexes suggest spontaneity at lower temperatures (i.e., lower than 298.15 K). The energy decomposition analysis (EDA) indicates that the electrostatic energy contributions were predominant in the [AnVO2L]+ complexes, while covalent (orbital) energy contributions were higher in the [AnVIO2L]2+ and [AnVIIO2L]3+ complexes. The extended transition state-natural orbitals for chemical valence (ETS-NOCV) analysis confirmed the prominent covalent character in [AnVIIO2L]3+ over [AnVIO2L]2+ and [AnVO2L]+and the back donation of charges from An to N that stabilizes TEQ.

A new approach to stochastic relativistic fluid dynamics from information flow

We present a new general formalism for introducing thermal fluctuations in relativistic hydrodynamics, which incorporates recent developments on the causality and stability of relativistic hydrodynamic theories. Our approach is based on the information current, which measures the net amount of information carried by perturbations around equilibrium in a relativistic many-body system. The resulting noise correlators are guaranteed to be observer-independent for thermodynamically stable models. We obtain an effective action within our formalism and discuss its properties.

Reactivity of Ts and At oxides and oxyhydrides with a gold surface from periodic DFT calculations.

Adsorption energies, Eads, of oxides and oxyhydrides of the superheavy element (SHEs) Ts and of its lighter homologue At on the gold surface are predicted on the basis of relativistic periodic density functional theory calculations via AMS BAND software. The following compounds were considered: MO, MO2, MOO, and MO(OH) (where M = At and Ts). The aim of this study is to support "one-atom-at-a-time" gas-phase chromatography experiments on reactivity/volatility of SHEs. The results obtained indicate that all the molecules investigated should interact fairly strongly with the gold surface, with those of Ts being more reactive than At ones. The similarity in the Eads values of all the considered At compounds would make it challenging to differentiate between them while measuring their adsorption enthalpies, given experimental uncertainty. However, the difference in Eads among Ts compounds is more pronounced, so that one should be able to differentiate between the species.

Uncovering chemical homology of superheavy elements: a close look at astatine.

The fascination with superheavy elements (SHE) spans the nuclear physics, astrophysics, and theoretical chemistry communities. Extreme relativistic effects govern these elements' chemistry and challenge the traditional notion of the periodic law. The experimental quest for SHE critically depends on theoretical predictions of these elements' properties, especially chemical homology, which allows for successful prototypical experiments with more readily available lighter homologues of SHE. This work is a comprehensive quantum-chemical investigation into astatine (At) as a non-intuitive homologue of element 113, nihonium (Nh). Combining relativistic coupled-cluster and density functional theory approaches, we model the behaviour of At and AtOH in thermochromatographic experiments on a pristine gold surface. Insights into the electronic structure of AtOH and NhOH and accurate estimates of At-gold and AtOH-gold adsorption energies rationalise recent experimental findings and justify the use of At as a chemical homologue of Nh for the successful design of future experiments on Nh detection and chemical characterisation.

New Classical Relativistic Theory of a Charged Particle in an Electric Field

New Classical Relativistic Theory of a Charged Particle in an Electric Field

New Classical Relativistic Theory of a Charged Particle in an Electric Field

New Classical Relativistic Theory of a Charged Particle in an Electric Field

Principle of Free-electron Laser and Applications in Medical Research and Lithography

In recent years, as a breakthrough light source technology, free-electron laser (FEL) has the unique advantage of producing coherent radiation with high brightness, high energy, good directivity and excellent monochromaticity. With this in mind, this study will systematical discuss the historical development of FEL technology, from Einstein's laser theory to Dr. Maiman's first commercial laser, as well as the birth and evolution of FEL. To be specific, the basic principles and construction of FEL technology will be discussed in detail, including key components such as electron sources, electron accelerators, and oscillators. The application of free electron laser (FEL) technology in medicine and lithography will also be demonstrated in this paper. According to the analysis, the current limitations of the state-of-art facilities as well as the future development trends and improvements for FEL system will be clarified based on the evaluations. Overall, these results shed light on guiding further exploration of FEL techniques.