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...
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...
Time and frequency (T&F) measurement with unprecedented accuracy is the backbone for several sophisticated technologies, commensurate with the evolution of human civilisation in the 20th century in terms of communication, positioning, navigation,...
We present a Gordon decomposition of the magnetizability of a Dirac one-electron atom in an arbitrary discrete energy eigenstate, with a pointlike, spinless, and motionless nucleus of charge
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...
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...
Atoms and ions remain in some long-lived excited levels for much longer than in typical “normal” levels, but not forever. Various cases of this so-called metastability that occur in multiply or even highly charged ions are discussed in a...
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...
This study focused on the measurement of anthropogenic radionuclides such as americium (Am) and plutonium (Pu) in environmental samples. Plutonium isotopes, particularly
The use of atom interferometers in inertial systems holds the promise of improvement of several orders of magnitude in sensitivity over sensors using current technology such as micro-electro-mechanical (MEMS) devices or ring laser gyroscopes (RLGs)....
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...
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...
For the control of fusion reactors, we need to accurately know all the possible reactions and collisional cross sections. Although large-scale trials have been performed over the last decades to obtain this data, many basic atomic and molecular cross...
Multiply charged ions of iron dominate the EUV spectrum of the solar corona. For the interpretation of such spectra, data on both the atomic structure and the transition rate are essential, most of which are provided by theory and computation. The wa...
We review the results of the 1
We report the frequency stabilization of an external cavity diode laser (ECDL) to a reference molecular iodine (I2) transition at 13,531.18 cm−1 (739.03382 nm). Using the Modulation Transfer Spectroscopy (MTS) method for the highly sensitive de...
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...
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 (
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...
In this paper, we theoretically study the laser-induced modification of the vibrational parameters of a carbon dioxide molecule regarding its tunnel ionization. Our study predicts a 5% increase in the ionization rate in anti-Stokes channels that corr...
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 reaction of benzene with fluorine atoms may be of interest as a source of phenyl and ipso-fluorocyclohexadienyl radicals or as a method for fluorobenzene gas phase synthesis. The structures and electronic energies of the equilibrium configuration...
We report here an R-matrix study of electron collision with the BeO
To better understand the hydrogen corrosion mechanism on uranium surfaces and assess the hydrogen penetration resistance of Al-U alloys, the adsorption of hydrogen atoms on U(110), Al(111), and nAl/U(110) alloy surfaces was systematically studied thr...
Optical lattice clocks combine the accuracy and stability required for next-generation frequency standards. At the heart of these clocks are carefully engineered optical lattices tuned to a wavelength where the differential AC Stark shift between gro...
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...
Matter wave interferometry with increasingly larger masses could pave the way to understanding the nature of wavefunction collapse, the quantum to classical transition, or even how an object in a spatial superposition interacts with its gravitational...
In this work, a group-11 metal nanoparticle-embedded, graphitic carbon nitride-based, resistive-type sensor was developed for room temperature acetone sensing. We synthesized pure and group-11 transition metal (Cu, Ag and Au) nanoparticles embedded i...
An atom confined in an optical dipole trap is a promising candidate for a qubit. Analyzing the temporal response of such trapped atoms enables us to estimate the speed at which quantum computers operate. The present work models an atom in an optical...
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...
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...
Multipulse laser–matter interactions initiate nonlinear and nonequilibrium plasma fluid flow dynamics and their instability creating microscale vortex filaments, loop-soliton chains, and helically paired structures, similar to those at the astr...
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...
The shake-off processes and charge-state fractions of
The origin of heavier elements than iron is still under discussion, and recent studies suggest that the contribution of the r-process in neutron star mergers is dominant. Future modeling of such processes will require a huge amount of spectroscopic d...
Modeling plasmas in terms of atoms or ions is theoretically appealing for several reasons. When it is relevant, the notion of atom or ion in a plasma provides us with an interpretation scheme of the plasma’s internal functioning. From the stand...
Over a wide and partly overlapping energy range, the single-electron capture cross-sections for collisions of metastable
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...
The singlet, triplet, and quintet electronic states of the Fe
We studied signatures of quantum chaos in dynamics of Rydberg-dressed bosonic atoms held in a one-dimensional triple-well potential. Long-range nearest-neighbor and next-nearest-neighbor interactions, induced by laser dressing atoms to strongly inter...
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...
In an effort to measure electron-impact ionization (EII) cross-sections of He-like
Precise and accurate atomic mass data provide crucial information for applications in a wide range of fields in physics and beyond, including astrophysics, nuclear structure, particle and neutrino physics, fundamental symmetries, chemistry, and metro...
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
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...
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...
Most modern calculations of many-electron atoms use basis sets of atomic orbitals. An accurate account for electronic correlations in heavy atoms is a very difficult computational problem, and an optimization of the basis sets can reduce computationa...
Using measured cross-sections and polarizability data, an empirical scaling law is extracted for the electron collision single-ionization cross-section maxima of neutral atoms. We found that the cross sections scale linearly with the target’s s...
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