Related papers: Portal for High-Precision Atomic Data and Computat…
Strontium-88 is a versatile atomic species often used in quantum optics, precision metrology, and quantum computing. Consolidated atomic data is essential for the planning, execution, and evaluation of experiments. In this reference, we…
Artificial electrostatic potentials can be present in supercells constructed for atomistic simulations of surfaces and interfaces in ionic crystals. Treating the ions as point charges, we systematically derive an electrostatic formalism for…
Energy levels, radiative rates and lifetimes are reported for four S-like ions, namely Sc~VI, V VIII, Cr IX, and Mn~X. Two independent atomic structure codes, namely the general-purpose relativistic atomic structure package ({\sc grasp})…
Large-scale self-consistent multiconfiguration Dirac--Hartree--Fock and relativistic configuration interaction calculations are reported for the $n \leq 6$ levels in Be-like ions from B II to Ne VII. Effects from electron correlation are…
Level energies, wavelengths, electric dipole, magnetic dipole, electric quadrupole, and magnetic quadrupole transition rates, oscillator strengths, and line strengths from combined relativistic configuration interaction and many-body…
Accurate quantum mechanics based predictions of property trends are so important for materials design and discovery that even inexpensive approximate methods are valuable. We use the Alchemical Integral Transform (AIT) to study…
Precision spectroscopy of atomic systems is an invaluable tool for the advancement of our understanding of fundamental interactions and symmetries. Recently, highly charged ions (HCI) have been proposed for sensitive tests of physics beyond…
SDTrimSP is a widely used Monte Carlo simulation code based on the Binary Collision Approximation (BCA) for modeling ion implantation and ion-solid interaction processes. While an established graphical user interface (GUI) exists for…
Energy levels and radiative rates are reported for transitions in Cl-like W LVIII. Configuration interaction (CI) has been included among 44 configurations (generating 4978 levels) over a wide energy range up to 363 Ryd, and the…
Powerful detectors at modern experimental facilities routinely collect data at multiple GB/s. Online analysis methods are needed to enable the collection of only interesting subsets of such massive data streams, such as by explicitly…
We present a program called potfit which generates an effective atomic interaction potential by matching it to a set of reference data computed in first-principles calculations. It thus allows to perform large-scale atomistic simulations of…
Transport calculations for neutronic design require accurate nuclear data and validated computational tools. In the Spallation Physics Group, at the European Spallation Source, we perform shielding and neutron beam calculations to help the…
Spectral lines from N-like ions can be used to measure the temperature and density of various types of astrophysical plasmas. The atomic databases of astrophysical plasma modelling codes still have room for improvement in their…
Indications of aluminium monoxide in atmospheres of exoplanets are being reported. Studies using high-resolution spectroscopy should allow a strong detection but require high accuracy laboratory data. A \textsc{marvel} (measured active…
We review quantum information processing with cold neutral particles, that is, atoms or polar molecules. First, we analyze the best suited degrees of freedom of these particles for storing quantum information, and then we discuss both…
As the atomistic simulations of materials science move from traditional potentials to machine learning interatomic potential (MLIP), the field is entering the second phase focused on discovering and explaining new material phenomena. While…
Remarkable progress towards realizing quantum computation has been achieved using natural and artificial atoms as qubits. This article presents a brief overview of the current status of different types of qubits. On the one hand, natural…
We study electronic transitions in highly-charged Cf ions that are within the frequency range of optical lasers and have very high sensitivity to potential variations in the fine-structure constant, alpha. The transitions are in the optical…
We report energy levels, radiative rates (A-values) and lifetimes for the astrophysically-important Be-like ion C III. For the calculations, 166 levels belonging to the $n \le$ 5 configurations are considered and the {\sc grasp}…
We use the recently introduced independent-atom-model pixel counting method to calculate proton-impact net ionization cross sections for a large class of biologically relevant systems including pyrimidines, purines, amino acids, and…