Search Results (972)

Rydberg atoms play a crucial role in testing atomic structure theory, quantum computing and simulation. Measurements of transition frequencies from the $2^{1,3}S$ states to Rydberg ${}^{1,3}P$ states have reached a precision of several kHz, which poses significant challenges for theoretical calculations, since the accuracy of variational energy calculations decreases rapidly with increasing principal quantum number n. Recently the complex “triple” Hylleraas basis was employed to attain the ionization energy of helium $24{}^{1}P$ state with high accuracy. Different from it, we extended the correlated B-spline basis functions (C-BSBFs) to calculate the Rydberg states of helium. The nonrelativistic energies of $1snp$${}^{1,3}P$ states up to $n=27$ achieve at least 14 significant digits using a unified basis set, thereby greatly reducing the complexity of the optimization process. Results of geometric structure parameters and cusp conditions were presented as well. Both the global operator and direct calculation methods are employed and cross-checked for contact potentials. This C-BSBF method not only obtains high-accuracy energies across all studied levels but also confirms the effectiveness of the C-BSBFs in depicting long-range and short-range correlation effects, laying a solid foundation for future high-accuracy Rydberg-state calculations with relativistic and QED corrections included in helium atom and low-Z helium-like ions. Full article

This study investigates the ionization balance of Sn ions in an electron beam ion trap (EBIT). Highly charged Sn ions are produced via collisions with a quasi-monochromatic electron beam, and the charge state distribution is analyzed using a Wien filter. Significant Sn¹⁵⁺ production occurs at electron energies below the ionization potential of Sn¹⁴⁺ (379 eV). Calculations attribute this to electron-impact ionization from metastable Sn¹⁴⁺ states. Full article

This article reviews several numerical methods for the time-dependent Schrödinger Equation (TDSE). We consider both the most commonly used approach—short-time propagation, which solves the TDSE by assuming that the Hamiltonian is time-independent over sufficiently small (time) intervals—as well as a number of higher-order alternatives. Our goal is to dispel the notion that the latter are too computationally demanding for practical use. To that end, we cover methods whose numerical building blocks are shared by short-time propagators or can be handled by standard libraries. Moreover, we make the case that these methods are best positioned to take advantage of parallel computing environments. One of the alternatives considered is a “double DVR” solver, which applies an expansion in a product basis of functions in space and time to obtain a solution (over all space and at multiple time points simultaneously) with a single linear system solve. To our knowledge, and despite its simplicity, this approach has not previously been applied to the TDSE. Full article

In this work, a comprehensive theoretical investigation is carried out to explore the electronic and spectroscopic properties of selected diatomic molecular ions MgRb⁺ and SrRb⁺. Using high-level ab initio calculations based on a pseudopotential approach, along with large Gaussian basis sets and full valence configuration interaction (FCI), we accurately determine adiabatic potential energy curves, spectroscopic constants, transition dipole moments (TDMs), and permanent electric dipole moments (PDMs). To deepen our understanding of these systems, we calculate radiative lifetimes for vibrational levels in both ground and low-lying excited electronic states. This includes evaluating spontaneous and stimulated emission rates, as well as the effects of blackbody radiation. We also compute Franck–Condon factors and analyze photoassociation processes for both ions. Furthermore, to explore low-energy collisional dynamics, we investigate elastic scattering in the first excited states (2¹Σ⁺) describing the collision between the Ra atom and Mg⁺ or Sr⁺ ions. Our findings provide detailed insights into the theoretical electronic structure of these molecular ions, paving the way for future experimental studies in the field of cold and ultracold molecular ion physics. Full article

We investigate how collisional interactions between the condensate and the thermal cloud influence the distinct dynamical regimes (Josephson plasma, phase-slip-induced dissipative regime, and macroscopic quantum self-trapping) emerging in ultracold atomic Josephson junctions at non-zero subcritical temperatures. Specifically, we discuss how the self-consistent dynamical inclusion of collisional processes facilitating the exchange of particles between the condensate and the thermal cloud impacts both the condensate and the thermal currents, demonstrating that their relative importance depends on the system’s dynamical regime. Our study is performed within the full context of the Zaremba–Nikuni–Griffin (ZNG) formalism, which couples a dissipative Gross–Pitaevskii equation for the condensate dynamics to a quantum Boltzmann equation with collisional terms for the thermal cloud. In the Josephson plasma oscillation and vortex-induced dissipative regimes, collisions markedly alter dynamics at intermediate-to-high temperatures, amplifying damping in the condensate imbalance mode and inducing measurable frequency shifts. In the self-trapping regime, collisions destabilize the system even at low temperatures, prompting a transition to Josephson-like dynamics on a temperature-dependent timescale. Our results show the interplay between coherence, dissipation, and thermal effects in a Bose–Einstein condensate at a finite temperature, providing a framework for tailoring Josephson junction dynamics in experimentally accessible regimes. Full article

Compton backscattering is a versatile non-destructive technique for material characterization and structural evaluation in reinforced concrete. This methodology enables a single-sided inspection of large structures—which is particularly useful where only one side of the material is accessible for examination—is relatively inexpensive, and can be made portable for field applications. This study aims to assess the influence of basaltic coarse aggregates on the accurate localization and dimensioning of rebar in reinforced concrete using the gamma-ray Compton backscattering technique at two distinct incident photon energies—59.5 keV and 1170 keV. The analysis was performed through Monte Carlo simulations using the FLUKA code, providing insights into the feasibility and limitations of this non-destructive method for structural evaluation. Both photon energies successfully detected the rebar embedded at a 3 cm depth in mortar, achieving a good spatial resolution and contrast, despite the presence of a significant amount of iron oxide within the aggregate. Among the evaluated sources, ⁶⁰Co yielded the highest contrast and count values, demonstrating its potential for rebar detection at greater depths within concrete structures. The single-sided Compton scattering technique proved to be effective for the investigated application and presents a promising alternative for the non-destructive assessment of real-world reinforced concrete structures. Full article

In this article, we describe an approach to teaching introductory quantum mechanics and machine learning techniques. This approach combines several key concepts from both fields. Specifically, it demonstrates solving the Schrödinger equation using the discrete-variable representation (DVR) technique, as well as the architecture and training of neural network models. To illustrate this approach, a Python-based Jupyter notebook is developed. This notebook can be used for self-learning or for learning with an instructor. Furthermore, it can serve as a toolbox for demonstrating individual concepts in quantum mechanics and machine learning and for conducting small research projects in these areas. Full article

State-of-the-art 2D sensitive semiconductor detectors developed within the SPARC collaboration can be utilized as dedicated Compton polarimeters in the hard X-ray regime. We report on the technique of Compton polarimetry utilizing such a detector and present a method to determine the linear polarization of an analyzed hard X-ray beam by means of Monte-Carlo-simulated data sets. Full article

The electron-impact ionization and partial ionization cross sections are reported for few silicon-chlorine molecules using semi-empirical methods. The partial ionization cross sections are determined using a modified version of the binary-encounter-Bethe model. In this approach, the binary-encounter-Bethe model is modified through a two-step process, namely, transforming the binding energies of the occupied orbitals and introducing a scaling factor. The scaling can be done using either the mass spectrometry data or experimental values of cross sections. It correctly adjusts the scaling term of the BEB model so that the order of magnitude of resulting partial ionization cross sections is the same as that of experimental values. Further, the use of the experimental value of ionization and appearance energy values ensures that the cross sections have a correct threshold. This further mitigates the dependence of cross sections on energy at low values. The role of the scaling factor and the behavior of branching ratios is also examined at different energies. The species whose partial ionization cross sections are reported are highly relevant in plasma processing. However, the proposed model can be extended to any multi-centerd molecular structures comprising a large number of atoms or electrons, except in cases where resonance effects or additional ionization channels become significant. The mass spectrometry data is of utmost importance in computing partial ionization cross sections in order to obtain reliable results. Full article

The current study presents the results of a methodical investigation into the ionization of rare gas atoms, specifically focusing on argon. In this study, two configurations are examined: ionization via a near-infrared (NIR) laser field alone, and ionization caused by extreme ultraviolet (XUV) radiation in the presence of a strong, synchronized NIR pulse. The theoretical investigation is conducted using an ab initio method to solve the time-dependent Schrödinger equation within the single active electron (SAE) approximation. The simulation results show a sequence of above-threshold ionization (ATI) peaks that shift to lower energies with increasing laser intensity. This behavior reflects the onset of the Stark effect, which modifies atomic energy levels and increases the number of photons required for ionization. An examination of the two-color photoionization spectrum, which includes sideband structures and harmonic peaks, shows how the ionization probability is redistributed between the direct path (single XUV photon absorption) and sideband pathways (XUV ± n × IR) as the intensity of the infrared field increases. Quantum interference between continuum states is further revealed by the photoelectron angular distribution, clearly indicating the control of ionization dynamics by the IR field. Full article

Studies of subradiance in a chain N two-level atoms in the single excitation regime focused mainly on the complex spectrum of the effective Hamiltonian, identifying subradiant eigenvalues. This can be achieved by finding the eigenvalues N of the Hamiltonian or by evaluating the expectation value of the Hamiltonian on a generalized Dicke state, depending on a continuous variable k. This has the advantage that the sum above N can be calculated exactly, such that N becomes a simple parameter of the system and no longer the size of the Hilbert space. However, the question remains how subradiance emerges from atoms initially excited or driven by a laser. Here we study the dynamics of the system, solving the coupled-dipole equations for N atoms and evaluating the probability to be in a generalized Dicke state at a given time. Once the subradiant regions have been identified, it is simple to see if subradiance is being generated. We discuss different initial excitation conditions that lead to subradiance and the case of atoms excited by switching on and off a weak laser. This may be relevant for future experiments aimed at detecting subradiance in ordered systems. Full article

Recently, it has been shown that, under the action of the lateral van der Waals (vdW) force due to a perfectly conducting corrugated plane, a neutral anisotropic polarizable particle in vacuum can be attracted not only to the nearest corrugation peak but also to a valley or an intermediate point between a peak and a valley, with such behaviors called peak, valley, and intermediate regimes, respectively. In the present paper, we discuss how the curvature of the corrugated surface affects the occurrence of the mentioned regimes. For this, we calculate the vdW interaction between a polarizable particle and a grounded conducting corrugated cylinder. We consider the corrugations along the azimuthal ($\varphi$-direction) angle or along the cylinder axis (z-direction). We show that when the corrugation occurs in the z-direction, the curvature has a small effect on the occurrence of the valley regime. On the other hand, it inhibits the intermediate regimes up to a certain particle–surface distance above which it amplifies the occurrence of this regime. When the corrugation occurs in the $\varphi$-direction, we show that the curvature inhibits both the valley and intermediate regimes. Full article

This work explores the evaluation of hydrogenic matrix elements for non-relativistic and relativistic cases under the Screened Hydrogenic Model (SHM). It focuses on scenarios where the initial and final states have different effective charges $Z_1\ne Z_2$, deriving closed-form solutions for particular cases $n_1=n_2$ and $Z_1=Z_2$. In addition, analytical expressions for radial matrix elements $⟨n^{\prime }{l}^{\prime }\left|r^{\beta }\right|nl⟩$ and their relativistic counterparts are presented. These are applicable for discrete–discrete transitions and allow simplifications for specific configurations using Laplace transforms. The study discusses generalizations of SHM for calculating cross-sections in hot and dense plasmas, employing the Plane Wave Born Approximation (PWBA). It also addresses the transition from LS to jj coupling for matrix elements, providing rules for such transformations. Full article

In this study, we have compared different Rydberg atom-based microwave electrometry techniques under the same experimental conditions and using the same Rydberg states ($68S_{1/2}$, $68P_{3/2}$, and $67P_{3/2}$). The comparison was carried out for the following techniques: (i) auxiliary microwave field, (ii) microwave amplitude modulation, and (iii) polarization spectroscopy. Our results indicate that all three techniques have a similar minimum measurable microwave electric field. A slightly better result can be obtained by performing polarization spectroscopy using a Laguerre–Gauss coupling laser beam. Full article

(1) Background: Ionizing radiation in the Earth’s atmosphere drives key chemical transformations affecting atmospheric composition. Despite their environmental relevance, experimental data on proton collisions with hydrofluorocarbons remain limited, and theoretical models for total cross-sections and stopping power are still underdeveloped. (2) Methods: This study applies Rudd’s semiempirical model to calculate proton impact ionization cross-sections for the CF₃CH₂F molecule, considering contributions from both outer and inner electron shells. The model enables the estimation of differential cross-sections and the average energy of secondary electrons. In addition, we calculate the photoionization cross-sections using a discretized representation of the continuum—the so-called pseudo-spectrum—obtained through TDDFT with PBE0 as an exchange–correlation functional and compare it with the cross-section obtained for proton impact in the high-energy limit. (3) Results: The Rudd model proves highly adaptable and suitable for numerical applications. However, its validation is hindered by the scarcity of experimental data. Existing models, such as SRIM and Bethe–Bloch, show significant discrepancies due to their limited applicability at intermediate energies and lack of molecular structure consideration. (4) Conclusions: A comparison between the Rudd and BEB models reveals strong agreement in the analyzed energy range. This consistency stems from both models accounting for the molecular structure of the target, as well as from the fact that protons and electrons possess charges of the same magnitude, supporting a coherent description of ionization processes at these energies. Full article