Related papers: A Python Program for Computation of Transition Pro…
We report calculations of energy levels, radiative rates, and electron impact excitation rates for transitions in Li-like ions with 12 <= Z <= 20. The GRASP (general-purpose relativistic atomic structure package) is adopted for calculating…
The analysis of experimental results with Python often requires writing many code scripts which all need access to the same set of functions. In a common field of research, this set will be nearly the same for many users. The qspec Python…
Ab initio calculations including relativistic effects employing the Breit-Pauli R-matrix (BPRM) method are reported for fine structure energy levels and oscillator strengths upto n = 10 and 0.leq. l .leq.9 for 15 Li-like ions: C IV, N V, O…
The (py)LIon package is a set of tools to simulate the classical trajectories of ensembles of ions in electrodynamic traps. Molecular dynamics simulations are performed using LAMMPS, an efficient and feature-rich program. (py)LIon has been…
In this article we report the release of a new program for calculating the emissivity of atomic transitions. The program, which can be obtained with its documentation from our website www.scienceware.net, passed various rigorous tests and…
We present a robust analysis code developed in the Python language and incorporating libraries of the ROOT data analysis framework for the state-of-the-art mass spectrometry method called phase-imaging ion-cyclotron-resonance (PI-ICR). A…
This study presents a novel optimisation technique for atomic structure calculations using the Flexible Atomic Code, focussing on complex multielectron systems relevant to $r$-process nucleosynthesis and kilonova modelling. We introduce a…
A Python program for calculating the metrics necessary to perform information-theory based symmetry classifications and quantifications of transmission electron diffraction spot patterns is introduced. It is the first of its kind, in that…
We present a computer program and underlying model to calculate the electric susceptibility of a gas, which is essential to predict its absorptive and dispersive properties. Our program focusses on alkali-metal vapours where we use a matrix…
We present a computer program to calculate the quantised rotational and hyperfine energy levels of $^{1}\Sigma $ diatomic molecules in the presence of dc electric, dc magnetic, and off-resonant optical fields. Our program is applicable to…
The Breit-Pauli R-matrix method developed under the Iron Project has been used to obtain extensive sets of oscillator strengths and transition probabilities for dipole allowed and intercombination fine structure transitions in carbon like…
Calculations of energy levels, radiative rates and lifetimes are reported for eight ions of tungsten, i.e. S-like (W LIX) to F-like (W LXVI). A large number of levels has been considered for each ion and extensive configuration interaction…
This work presents accurate {\it ab initio} investigations of various spectroscopic properties of a few Li-like ions in presence of a plasma environment within the Debye screening potential. The coupled-cluster theory in the relativistic…
We report calculations of energy levels, radiative rates and electron impact excitation cross sections and rates for transitions in Be-like Ti XIX. The GRASP (General-purpose Relativistic Atomic Structure Package) is adopted for calculating…
We report on calculations of energy levels, radiative rates, oscillator strengths, and line strengths for transitions among the lowest 253 levels of the (1s$^2$2s$^2$2p$^6$) 3s$^2$3p$^5$, 3s3p$^6$, 3s$^2$3p$^4$3d, 3s3p$^5$3d,…
The electronic structure of the lithium atom in a strong magnetic field 0 <= gamma <= 10 is investigated. Our computational approach is a full configuration interaction method based on a set of anisotropic Gaussian orbitals that is…
Transition amplitudes and transition probabilities are relevant to many areas of physics simulation, including the calculation of response properties and correlation functions. These quantities can also be related to solving linear systems…
We present the python package DiPolMol-Py, which can be used to calculate the rotational and hyperfine structure of $^2\Sigma$ molecules. The calculations can be performed in the presence of dc magnetic fields, dc electric fields and far…
Tunneling ionization is at the core of strong-field and attosecond science. In this paper, we present PyStructureFactor - a general Python code towards the calculation of the structure factor in the tunneling ionization rate of common…
Transiting exoplanet parameter estimation from time-series photometry and Doppler spectroscopy is fundamental to study planets' internal structures and compositions. Here we present the code pyaneti, a powerful and user-friendly software…