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The interaction of relativistically strong tailored laser pulses with an atomic system is considered. Due to a special tailoring of the laser pulse, the suppression of the relativistic drift of the ionized electron and a dramatic…
Relativistic effects in the non-resonant two-photon K-shell ionization of neutral atoms are studied theoretically within the framework of second-order perturbation theory. The non-relativistic results are compared with the relativistic…
Within the lowest-order relativistic approximation ($\sim v^2/c^2$) and to first order in $m_e/M$, the tensorial form of the relativistic corrections of the nuclear recoil Hamiltonian is derived, opening interesting perspectives for…
A computational model study for complete frequency redistribution linear incoherent two-level atomic radiation trapping in optically dense media using the multiple scattering representation is presented. This model study discuss at length…
We study the superradiance dynamics in a dense system of atoms each of which can be generally a spin-$j$ particle with $j$ an arbitrary half-integer. We generalize Dicke's superradiance point of view to multiple-level systems, and compare…
Despite the great success Kohn-Sham density functional theory (KS-DFT) has achieved, the delocalization error remains a major challenge for commonly used density functional approximations (DFAs), resulting in systematic errors in ionization…
The formalism of two coupled Dirac equations within constraint instant form dynamics is used to study the nucleon-nucleon interaction. The salient features and the final Schroedinger type equation is given. Explicitly energy dependent…
Machine-learning of atomic-scale properties amounts to extracting correlations between structure, composition and the quantity that one wants to predict. Representing the input structure in a way that best reflects such correlations makes…
We consider the interaction of electromagnetic radiation of arbitrary polarization with multi-level atoms in a self-consistent manner, taking into account both spatial and temporal dependencies of local fields. This is done by numerically…
Atom probe tomography is often introduced as providing "atomic-scale" mapping of the composition of materials and as such is often exploited to analyse atomic neighbourhoods within a material. Yet quantifying the actual spatial performance…
A variational solution procedure is reported for the many-particle no-pair Dirac-Coulomb-Breit Hamiltonian aiming at a parts-per-billion (ppb) convergence of the atomic and molecular energies, described within the fixed nuclei…
Large-scale relativistic configuration-interaction method combined with many-body perturbation theory is consistently applied to calculations of the energy levels of the ground and inner-L-shell excited states of berylliumlike ions in the…
RESPACK is a first-principles calculation software for evaluating the interaction parameters of materials and is able to calculate maximally localized Wannier functions, response functions based on the random phase approximation and related…
Nucleosynthesis calculations require nuclear level densities for hundreds or even thousands of nuclides. Ideally one would like to constrain these level densities by microscopically motivated yet computationally cheap models. A statistical…
The applications of machine learning techniques to chemistry and materials science become more numerous by the day. The main challenge is to devise representations of atomic systems that are at the same time complete and concise, so as to…
We present a new open source software for the integration of the radial Dirac equation developed specifically with muonic atoms in mind. The software, called mudirac, is written in C++ and can be used to predict frequencies and…
A new scheme to study the properties of finite nuclei is proposed based on the Dirac-Brueckner-Hartree-Fock (DBHF) approach starting from a bare nucleon-nucleon interaction. The relativistic structure of the nucleon self-energies in nuclear…
Using the relativistic Hartree-Fock approximation, we calculate the rates of atomic ionization by absorption of pseudoscalar particles in the mass range from 10 to $\sim$ 50 keV. We present numerical results for atoms relevant for the…
Nuclear level density (NLD) and radiative strength function (RSF) are described simultaneously within a microscopic approach, which takes into account the thermal effects of the exact pairing as well as the giant resonances within the…
We show that it is possible to change not only s-wave but also higher partial wave atom-atom interactions in cold collision in the presence of relatively intense laser fields tuned near a photoassociative transition.