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Atomic data determined by analysis of observed atomic spectra are essential for plasma diagnostics. For each low-ionisation open d- and f-subshell atomic species, around $10^3$ fine structure level energies can be determined through years…
Nuclear magnetic resonance (NMR) spectroscopy usually requires high magnetic fields to create spectral resolution among different proton species. At low fields, chemical shift dispersion is insufficient to separate the species, and the…
Sparse dictionary coding represents signals as linear combinations of a few dictionary atoms. It has been applied to images, time series, graph signals and multi-way spatio-temporal data by jointly employing temporal and spatial…
Relativistic effects are investigated in nuclear matter calculations employing renormalized low-momentum nucleon-nucleon ($NN$) interactions. It is demonstrated that the relativistic effects cure a problem of non-relativistic low-momentum…
Fully numerical mesh solutions of 2D quantum equations of Schroedinger and Hartree-Fock type allow us to work with wavefunctions which possess a very flexible geometry. This flexibility is especially important for calculations of atoms and…
Using the Dirac-Hartree-Fock-Bogoliubov approximation to study nuclear pairing, we have found the short-range correlations of the Dirac $^1$S$_0$ pairing fields to be essentially identical to those of the two-nucleon virtual state at all…
Accurate spectroscopic investigations of the heaviest elements are inherently challenging, due to their short lifetimes and low production yields. Success of such measurements requires both dedicated experimental techniques and strong…
The development of atomic many-body methods, capable of incorporating electron correlation effects accurately, is required for isotope shift (IS) studies. In combination with precise measurements, such calculations help to extract nuclear…
The high computational cost of evaluating atomic interactions recently motivated the development of computationally inexpensive kinetic models, which can be parametrized from MD simulations of complex chemistry of thousands of species or…
The Lagrangian density of standard relativistic mean-field (RMF) models with density-dependent meson-nucleon coupling vertices is modified by introducing couplings of the meson fields to derivative nucleon densities. As a consequence, the…
Donor-based quantum devices in silicon are attractive platforms for universal quantum computing and analog quantum simulations. The nearly-atomic precision in dopant placement promises great control over the quantum properties of these…
A set of relativistic mean field models is constructed including the Hartree and Hartree-Fock approximation accounting for the exchange of isoscalar and isovector mesons as well as the pion. Density dependent coupling functions are…
An approach aimed to extend the applicability range of non-relativistic microscopic calculations of electronuclear response functions is reviewed. In the quasielastic peak region the calculations agree with experiment at momentum transfers…
High precision atomic data is indispensable for experiments involving studies of fundamental interactions, astrophysics, atomic clocks, plasma science, and others. We develop new parallel atomic structure codes and explore the difficulties…
We show that a simple correlated wave function, obtained by applying a Jastrow correlation term to an Antisymmetrized Geminal Power (AGP), based upon singlet pairs between electrons, is particularly suited for describing the electronic…
The hyperpolarizability of an atom is a property that describes the nonlinear interaction between an atom and an external electric field leading to a higher-order Stark shift. Accurate evaluations of these coefficients for various systems…
Precise calculations of core properties in heavy-atom systems which are described by the operators heavily concentrated in atomic cores, like to hyperfine structure and P,T-parity nonconservation effects, usually require accounting for…
Advances in large language models (LLMs) are accelerating discovery in molecular science. However, adapting molecular information to the serialized, token-based processing of LLMs remains a key challenge. Compared to other representations,…
Planned optical spectroscopy experiments in lawrencium (Lr, Z = 103) require accurate theoretical predictions of the location of spectral lines in order to narrow the experimental search window. We present ab initio calculations of the…
In recent years, Answer Set Programming (ASP), logic programming under the stable model or answer set semantics, has seen several extensions by generalizing the notion of an atom in these programs: be it aggregate atoms, HEX atoms,…