Related papers: A Python Program for Computation of Transition Pro…
Calculations for energy levels, radiative rates and lifetimes have been performed for three Ne-like ions, namely Hf~LXIII, Ta LXIV and Re LXVI, for which the general-purpose relativistic atomic structure package (GRASP) has been adopted.…
In sudden perturbation approximation, the probability of the shake-up process accompanying inner-shell ionization is calculated for the isoelectronic sequences of Li-, Na- and K-like ions in the ground and excited $n$p and $n$d states.…
Lanthanide elements play important roles as an opacity source in the ejected material from neutron star mergers. Accurate and complete atomic data are necessary to evaluate the opacities and to analyze the observed data. In this paper, we…
BoltzTraP2 is a software package for calculating a smoothed Fourier expression of periodic functions and the Onsager transport coefficients for extended systems using the linearized Boltzmann transport equation. It uses only the band and…
Dependence of transition frequencies on the fine structure constant $\alpha=e^2/\hbar c$ is calculated for several many-electron systems which are used or planned to be used in the laboratory search for the time variation of the fine…
Quantum computing technologies promise to revolutionize calculations in many areas of physics, chemistry, and data science. Their power is expected to be especially pronounced for problems where direct analogs of a quantum system under…
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…
Cosmological perturbation theory is a powerful tool to predict the statistics of large-scale structure in the weakly non-linear regime, but even at 1-loop order it results in computationally expensive mode-coupling integrals. Here we…
The spectra of singly ionised Strontium and Yttrium (Sr {\sc ii} and Y {\sc ii}) have been proposed as identifications of certain spectral features in the AT2017gfo spectrum. With the growing demand for NLTE simulations of Kilonovae, there…
For a hydrogen atom subject to a constant magnetic field, we report a numerical realization of the two-dimensional Non-Linearization Procedure (NLP) to estimate the accuracy of the variational energy associated with a given trial function.…
The ground state hyperfine splitting values and the transition probabilities between the hyperfine structure components of high Z lithiumlike ions are calculated in the range $Z=49-83$. The relativistic, nuclear, QED and interelectronic…
Results for energy levels, radiative rates and electron impact excitation (effective) collision strengths for transitions in Be-like Cl XIV, K XVI and Ge XXIX are reported. For the calculations of energy levels and radiative rates the…
Superconducting quantum circuits are a promising hardware platform for realizing a fault-tolerant quantum computer. Accelerating progress in this field of research demands general approaches and computational tools to analyze and design…
HIPSTER (Heavily Ionising Particle Standard Toolkit for Event Recognition) is an open source Python package designed to facilitate the use of TensorFlow in a high energy physics analysis context. The core functionality of the software is…
The Liege Oscillation code can be used as a stand-alone program or as a library of subroutines that the user calls from a Fortran main program of his own to compute radial and non-radial adiabatic oscillations of stellar models. We describe…
The package "fhi96md" is an efficient code to perform density-functional theory total-energy calculations for materials ranging from insulators to transition metals. The package employs first-principles pseudopotentials, and a plane-wave…
Probabilistic programming is perfectly suited to reliable and transparent data science, as it allows the user to specify their models in a high-level language without worrying about the complexities of how to fit the models. Static analysis…
We present KITE, a general purpose open-source tight-binding software for accurate real-space simulations of electronic structure and quantum transport properties of large-scale molecular and condensed systems with tens of billions of…
Condensed matter compounds typically form crystals, which break the rotational and translational invariance of space but remain invariant under a discrete set of symmetry operations. Understanding the effects allowed by this symmetry…
Matrix elements of spherical tensor operators are fundamental to the analysis of lanthanide spectra in both amorphous and crystalline host materials. In the intermediate coupling scheme, the eigenvectors of the Hamiltonian define the…