Related papers: A Python Program for Computation of Transition Pro…
In this article, a software package code named OPSIAL (Optical Plasma Spectral Calculation And Parameters Retrieval) for rigorously calculating optical plasma spectra and for automatically retrieving plasma parameters is presented. OPSIAL…
Combined relativistic configuration interaction and many-body perturbation calculations are performed for the 359 fine-structure levels of the $2s^2 2p^3$, $2s 2p^4$, $2p^5$, $2s^2 2p^2 3l$, $2s 2p^3 3l$, $2p^4 3l$, and $2s^2 2p^2 4l$…
The fitting of spectral lines is a common step in the analysis of line observations and simulations. However, the observational noise, the presence of multiple velocity components, and potentially large data sets make it a non-trivial task.…
A new line list including positions and absolute intensities (in the form of Einstein $A$ values and oscillator strengths) has been produced for the OH ground X\DP\ state rovibrational (Meinel system) and pure rotational transitions. All…
The freud Python package is a powerful library for analyzing simulation data. Written with modern simulation and data analysis workflows in mind, freud provides a Python interface to fast, parallelized C++ routines that run efficiently on…
The software project kdotpy provides a Python application for simulating electronic band structures of semiconductor devices with $\mathbf{k}\cdot\mathbf{p}$ theory on a lattice. The application implements the widely used Kane model,…
We describe a novel, interdisciplinary, computational methods course that uses Python and associated numerical and visualization libraries to enable students to implement simulations for a number of different course modules. Problems in…
The Hofstadter model successfully describes the behavior of non-interacting quantum particles hopping on a lattice coupled to a gauge field, and hence is ubiquitous in many fields of research, including condensed matter, optical, and atomic…
We present precise radiative data of line strengths, transition probabilities and oscillator strengths for the allowed transitions among the $nS_{1/2}$, $nP_{1/2,3/2}$, $n'D_{3/2,5/2}$ and $n'F_{5/2,7/2}$ states with $n=4$ to $6$ and…
Investigating Li$^+$ transport within the amorphous lithium phosphorous oxynitride (LiPON) framework, especially across a Li||LiPON interface, has proven challenging due to its amorphous nature and varying stoichiometry, necessitating large…
Energy levels, radiative rates and lifetimes are calculated among the lowest 98 levels of the n <= 4 configurations of Be-like Al X. The GRASP (General-purpose Relativistic Atomic Structure Package) is adopted and data are provided for all…
Recent developments in path integral methodology have significantly reduced the computational expense of including quantum mechanical effects in the nuclear motion in ab initio molecular dynamics simulations. However, the implementation of…
Promising searches for new physics beyond the current Standard Model (SM) of particle physics are feasible through isotope-shift spectroscopy, which is sensitive to a hypothetical fifth force between the neutrons of the nucleus and the…
GMP-Featurizer is a lightweight, accurate, efficient, and scalable software package for calculating the Gaussian Multipole (GMP) features \cite{GMP} for a variety of atomic systems with elements across the periodic table. Starting from the…
Gaussian Approximation Potentials are a class of Machine Learned Interatomic Potentials routinely used to model materials and molecular systems on the atomic scale. The software implementation provides the means for both fitting models…
Numerous few-electron atomic systems are considered which can be used effectively for observing a potential variation of the fine-structure constant $\alpha$ and the electron-proton mass ratio $m_e/m_p$. We examine optical magnetic dipole…
Accurate values of electric dipole (E1) amplitudes along with their uncertainties for a number of transitions among low-lying states of Mg$^+$, Ca$^+$, Sr$^+$, and Ba$^+$ are listed by carrying out calculations using a relativistic…
Accurate simulations of vibrational molecular spectra are expensive on conventional computers. Compared to the electronic structure problem, the vibrational structure problem with quantum computers is less investigated. In this work we…
The object of this laboratory work: to explore dependence mass point oscillatory motion parameters in the following cases: - without resistance (free oscillations); - the resistance force is proportional to the velocity vector; - the…
Tools for computing detailed optically thick spectral line profiles out of local thermodynamic equilibrium have always been focused on speed, due to the large computational effort involved. With the Lightweaver framework, we have produced a…