grasp is a software package in Fortran 95, adapted to run in parallel under MPI, for research in atomic physics. The basic premise is that, given a wave function, any observed atomic property can be computed. Thus, the first step is always to determi...
The last decade has seen a rapid growth in our understanding of the microscopic origins of shape coexistence, assisted by the new data provided by the modern radioactive ion beam facilities built worldwide. Islands of the nuclear chart in which shape...
The application of a neutral particle analyzer (NPA) diagnostic at the Globus-M/M2 spherical tokamaks is discussed. Physical principles of the diagnostic are reviewed. Two general approaches—active and passive measurements—are described....
We investigate the role of vortices in the decay of persistent current states of annular atomic superfluids by solving numerically the Gross–Pitaevskii equation, and we directly compare our results with the
This study investigates the electronic and optical properties of calcium-doped strontium hydride (SrH2) using first-principles density functional theory (DFT) calculations via the CASTEP code with generalized gradient approximation (GGA). We explore...
We use the PyNeb 1.1.16 Python package to evaluate the atomic datasets available for the spectral modeling of [Fe ii] and [Fe iii], which list level energies, A-values, and effective collision strengths. Most datasets are reconstructed from the sourc...
It has been shown that quantum fluctuations in dipolar Bose–Einstein condensates (BECs) lead to a stabilisation against collapse, thereby providing access to a range of states with different symmetries. In this paper, we discuss variational app...
The electron impact excitation and ionization processes are crucial for modeling the spectra of different astrophysical objects, from atmospheres of late-type stars to remnants of supernovae and up to the light emission from neutron star mergers, to...
We review the results of the 1
Density functional theory (DFT) is a commonly used methodology favored by experts and non-experts alike. It is a useful tool for the investigation of atomic, molecular and surface systems, offering an efficient and often reliable approach to calculat...
We have theoretically investigated nine unusual isomers of the molecular formula C5H4 using coupled cluster (CC) and density functional theory (DFT) methods. These molecules possess non-classical structures consisting of two pyramidanes, three planar...
Photoionization and its inverse, electron–ion recombination, are key processes that influence many astrophysical plasmas (and gasses), and the diagnostics that we use to analyze the plasmas. In this review we provide a brief overview of the imp...
For the realization of an optical nuclear clock, the first isomeric excited state of thorium-229 (229mTh) is currently the only candidate due to its exceptionally low-lying excitation energy (
In this investigation, the potential use of native β-cyclodextrin (β-CD) and hydroxypropyl-β-cyclodextrin (HP-β-CD) as encapsulating agents for trichloroethylene (TCE) was assessed. Various quantum chemical parameters, including H...
The study of atomic spectroscopy and collision processes in a dense plasma environment has gained a considerable interest in the past few years due to its several applications in various branches of physics. The multiconfiguration Dirac-Fock (MCDF) m...
The effects of cation substitution are the main emphasis of this investigation into the structural, mechanical, electronic, and optical properties of double perovskites K2AgSbBr6 and K2NaScBr6. Outwardly favorable tolerance and octahedral factors and...
Electron vortex beams (EVBs, also known as twisted electron beams) possess an intrinsic orbital angular momentum (OAM) with respect to their propagation direction. This intrinsic OAM represents a new degree of freedom that provides new insights into...
To provide spectroscopic data for W
Radiative recombination (RR) plasma rate coefficients are often applied to estimate electron densities and temperatures under quite different plasma conditions. Despite their frequent use, however, these rate coefficients are available only for selec...
Quantum theory provides us with the best account of microscopic components of matter as well as of radiation. It was introduced in the twentieth century and has experienced a wide range of success. Although the theory’s probabilistic prediction...
We extend the two-centre wave-packet convergent close-coupling approach to doubly differential ionisation in proton collisions with H2 to intermediate projectile energies. The results for the doubly differential cross section at projectile energies f...
Here, we present evidence that the D2h M2C50/2+ (M = Li-K, Be-Ca, Al-In, and Zn) species comprises planar hexacoordinate carbon (phC) structures that exhibit four covalent and two electrostatic interactions. These findings have been made possible usi...
Opacity determines radiation transport through material media. In a plasma source, the primary contributors to atomic opacity are bound–bound line transitions and bound-free photoionization into the continuum. We review the theoretical methodol...
We present an extension of our study of the energy shift of the atomic emissions subject to charged-neutral outside dense plasma following the good agreement between the experimental measurements and our recent theoretical estimates for the
This article reviews the advances made during the past two decades in the application of Laser-Induced Breakdown Spectroscopy (LIBS) to biological samples, specifically soft tissues (both animal and human). The first sections include a historical ove...
We report recent enhancements to the online atomic database at the Ohio State University, NORAD-Atomic-Data, that provide various parameters for radiative and collisional atomic processes dominant in astrophysical plasma. NORAD stands for Nahar Osu R...
Over the last decade, it has become clear that for heavy ion projectiles, the projectile’s transverse coherence length must be considered in theoretical models. While traditional scattering theory often assumes that the projectile has an infini...
We present an efficient numerical method to solve the time-dependent Schrödinger equation in the single-active electron picture for atoms interacting with intense optical laser fields. Our approach is based on a non-uniform radial grid with smoo...
The analysis and measurement of Wigner time delays can provide detailed information about the electronic environment within and around atomic and molecular systems, with one the key differences being the lack of a long-range potential after a halogen...
This study reports on the absolute photoionization cross sections for the magnesium-like Cl5+ ion over the 190–370 eV photon energy range, corresponding to the L-shell (2s and 2p subshells) excitation regime. The experiments were performed usin...
In this study, eight emission lines in the visible wavelength range of neutral helium were used to diagnose the electron density and temperature of the Large Helical Device (LHD) helium plasma instead of the conventional three-line method. The collis...
Stellar atmospheres separate the hot and dense stellar interiors from the emptiness of space. Radiation escapes from the outermost layers of a star, carrying direct physical information. Underneath the atmosphere, the very high opacity keeps radiatio...
Lithium (Li)-rich continental brines found in the Lithium Triangle region in South America are a natural resource of paramount importance. In the present research, the analytical performance of laser-induced breakdown spectroscopy (LIBS) technology w...
It has been recently suggested that white dwarf diagnostics could be in error and should be revised because of the effect of the magnetic field on spiralling trajectories of the plasma particles (mainly electrons), predicting a dramatic width increas...
The current status of the theoretical investigation of the bound-electron g factor in lithium-like and boron-like highly charged ions is reported. Some tension between the several theoretical values and measurements is discussed. Then, prospects for...
Heteronuclear diatomic rare gas molecular cations feature excited electronic terms with charge transfer character located several eV above the ground term. The role of such terms in collisions involving heteronuclear ions is studied theoretically und...
Criegee intermediates, which are the products of the ozonolysis of alkenes, play a key role in many chemical and physical processes in the atmosphere. Their reactions with other atmospheric compounds are responsible for the formation of hydroxyl, met...
Systematic R-matrix calculations of electron-impact excitation for ions of astrophysical interest have been performed since 2007 for many iso-electronic sequences as part of the UK Atomic Process for Astrophysical Plasma (APAP) network. Rate coeffici...
In this article, effects of the strong long-range interaction of Rydberg atoms on the Autler–Townes splitting spectrum are investigated. Preliminary results are obtained for various excitation times and Rydberg atom densities. The
The year 2022 marked the 10th anniversary not only of the
The fragmentation dynamics of the CO
Ab initio calculations sometimes do not reproduce the experimentally observed energy separations at a high enough accuracy. Fine-tuning of diagonal elements of the Hamiltonian matrix is a process which seeks to ensure that calculated energy separatio...
The positron impact cross-sections of pyrimidine molecules are reported from 1 eV to 5000 eV. These cross-sections include differential elastic, integral elastic, and direct ionisation. The elastic cross-sections are computed using the single-centre...
The concept of dense and hot plasmas can be used to build up powerful and brilliant radiation sources in the soft X-ray and extreme ultraviolet spectral range. Such sources are used for nanoscale imaging and structuring applications, such as EUV lith...
This work discusses diatomic molecular spectroscopy of laser-induced plasma and analysis of data records, specifically signatures of cyanide, CN. Line strength data from various databases are compared for simulation of the CN,
In this work, a krypton gas impurity seeding experiment was conducted in a Large Helical Device. Emission lines from the Na-like Kr ion in the extreme ultraviolet wavelength region, such as 22.00 nm, 17.89 nm, 16.51 nm, 15.99 nm, and 14.08 nm, respec...
During the past five decades, classical dynamics have been systematically used to gain insight on collision processes between charged particles and photons with atomic and molecular targets. These methods have proved to be efficient for systems in wh...
Over a wide and partly overlapping energy range, the single-electron capture cross-sections for collisions of metastable
The Atomic and Molecular Data Unit of the International Atomic Energy Agency has developed a new database, CollisionDB, to provide an open, free, robust and long-term repository of data on plasma collisional processes. The database contains data on c...
Precise measurements of nuclear beta decays provide a unique insight into the Standard Model due to their connection to the electroweak interaction. These decays help constrain the unitarity or non-unitarity of the Cabibbo–Kobayashi–Maska...
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