Related papers: A Python Program for Computation of Transition Pro…
The demand for precision predictions in the field of high energy physics has dramatically increased over recent years. Experiments conducted at the LHC, as well as precision measurements at the intensity frontier such as Belle II require…
We present here the first release of the open-source python package ExoTETHyS, which aims to provide a stand-alone set of tools for modeling spectro-photometric observations of the transiting exoplanets. In particular, we describe: (1) a…
We report lifetimes, branching fractions, and the resulting oscillator strengths for transitions within the P II multiplet (3s^23p^2 ^3P - 3s^23p4s ^3P^o) at 1154 A. These beam-foil measurements represent the most comprehensive and precise…
Local scale transformations are made to vary the long range properties of harmonic oscillator orbitals conventionally used in model structure calculations of nuclear systems. The transformations ensure that those oscillator states…
We present $\mathcal{O}(N^2)$ estimators for the small-scale power spectrum and bispectrum in cosmological simulations. In combination with traditional methods, these allow spectra to be efficiently computed across a vast range of scales,…
We present PyXtal FF, a package based on Python programming language, for developing machine learning potentials (MLPs). The aim of PyXtal FF is to promote the application of atomistic simulations by providing several choices of structural…
Radiative atomic data and electron impact excitation cross sections for the $2s-2p$ transitions in O VI for transitions among the fine structure levels belonging to the $1s^{2}nl$ ($2\leq n\leq5$) configurations have been calculated. We…
Lithium superionic conductors (LSCs) are of major importance as solid electrolytes for next-generation all-solid-state lithium-ion batteries. While $ab$ $initio$ molecular dynamics have been extensively applied to study these materials,…
Proteinoids, as soft matter fluidic systems, are computational substrates that have been recently proposed for their analog computing capabilities. Such systems exhibit oscillatory electrical activity because of cationic and anionic…
In this research, we do a software writing in Python to calculate the efforts, bending moments and deformations in beams of different materials. This computational tool, that we developed, is of great help in area of computational physical,…
Energy spectroscopy is a powerful tool with diverse applications across various disciplines. The advent of programmable digital quantum simulators opens new possibilities for conducting spectroscopy on various models using a single device.…
We have developed a Mathematica program which uses three-dimensional, isotropic harmonic oscillator wavefunctions for the solutions interior to the nucleus, and Coulomb wavefunctions for the exterior. The algorithm enables us to calculate…
PYSCF is a Python-based general-purpose electronic structure platform that both supports first-principles simulations of molecules and solids, as well as accelerates the development of new methodology and complex computational workflows.…
Room temperature ionic liquids (RTILs) are solvent with unusual properties, which are difficult to characterize experimentally because of their intrinsic complexity (large number of atoms, strong Coulomb interactions). Molecular simulations…
A computer program is presented which calculates the elastic and inelastic scattering in intermediate and high energy nuclear collisions. A coupled-channels method is used for Coulomb and nuclear excitations of E1, E2, E3, M1, and M2…
We improve by a factor of 4-20 the energy accuracy of the strongest soft X-ray transitions of Fe XVII ions by resonantly exciting them in an electron beam ion trap with a monochromatic beam at the P04 beamline of the PETRA III synchrotron…
Energy levels and radiative rates (A-values) for four types of transitions (E1, E2, M1, and M2) are reported for an astrophysically important Mg-like ion Si~III, whose emission lines have been observed in a variety of plasmas. For the…
We introduce the pCI software package for high-precision atomic structure calculations. The standard method of calculation is based on the configuration interaction (CI) method to describe valence correlations, but can be extended to attain…
We present an open-source code for the simulation of electron and ion transport for user-defined gas mixtures with static uniform electric and magnetic fields. The program provides microscopic interaction simulation and is interfaced with…
The goals of this study are 1) to test the best theoretical transition probabilities for Ca I (a relatively light alkaline earth spectrum) from a modern ab initio calculation using configuration interaction plus many body perturbation…