Related papers: A Python Program for Computation of Transition Pro…
A simulation can stand its ground against experiment only if its prediction uncertainty is known. The unknown accuracy of interatomic potentials (IPs) is a major source of prediction uncertainty, severely limiting the use of large-scale…
Axions and axion-like particles (ALPs) are hypothetical particles that occur in extensions of the Standard Model and are candidates for cold dark matter. They could be detected through their oscillations into photons in the presence of…
ORBKIT is a toolbox for post-processing electronic structure calculations based on a highly modular and portable Python architecture. The program allows computing a multitude of electronic properties of molecular systems on arbitrary…
To address the the problem of calibration of instrument systematics in transit light curves, we present the Python package ExoTiC-ISM. Transit spectroscopy can reveal many different chemical components in exoplanet atmospheres, but such…
Calculations of energy levels, radiative rates and lifetimes are reported for 17 F-like ions with 37 $\le$ Z $\le$ 53. For brevity, results are only presented among the lowest 113 levels of the 2s$^2$2p$^5$, 2s2p$^6$, 2s$^2$2p$^4$3$\ell$,…
Vibrational properties of molecular crystals are constantly used as structural fingerprints, in order to identify both the chemical nature and the structural arrangement of molecules. The simulation of these properties is typically very…
We calculate the dependence of atomic transition frequencies on the fine structure constant, $\alpha = e^2/\hbar c$, for some ions of Ti, Mn, Na, C, and O. The results of these calculations will be used in the search for variation of alpha…
A simple, seven-parameter trial function is proposed for a description of the ground state of the Lithium atom. It includes both spin functions. Inter-electronic distances appear in exponential form as well as in a pre-exponential factor,…
The THERMOS toolkit has been developed to calculate radiative properties of plasmas. This article contains a brief survey of some of its key features used by calculation of opacities and emissivities and by analysis of specific experiments.…
There have been discussions in the recent literature regarding the accuracy of the available electron impact excitation rates (equivalently effective collision strengths $\Upsilon$) for transitions in Be-like ions. In the present paper we…
Planned optical spectroscopy experiments in lawrencium (Lr, Z = 103) require accurate theoretical predictions of the location of spectral lines in order to narrow the experimental search window. We present ab initio calculations of the…
The usage of the high-level scripting language Python has enabled new mechanisms for data interrogation, discovery and visualization of scientific data. We present yt, an open source, community-developed astrophysical analysis and…
High precision atomic data is indispensable for experiments involving studies of fundamental interactions, astrophysics, atomic clocks, plasma science, and others. We develop new parallel atomic structure codes and explore the difficulties…
A Python program has been developed which fits a published detector-response model to SiPM charge spectra to characterise SiPMs. Spectra for SiPMs illuminated by low intensity pulsed light with Poisson-distributed number of photons and a…
Efficient exploration of parameter spaces is crucial to extract physical information about the Epoch of Reionization from various observational probes. To this end, we propose a fast technique based on Gaussian Process Regression (GPR)…
The large quantity and high quality of modern radio and infrared line observations require efficient modeling techniques to infer physical and chemical parameters such as temperature, density, and molecular abundances. We present a computer…
We present an open-source computer program written in Python language for quantum measurement and related issues. In our program, quantum states and operators, including quantum gates, can be developed into a quantum-object function…
We present new calculations for transition probabilities of Fe IV, with much more extensive datasets than heretofore available. The large-scale close coupling R-matrix calculations yield 1,798 LS bound states with n $\leq$ 11 and $l \leq$…
The possibility of an atomic detection of gravitational waves on earth is considered. The combination of extremely high lifetimes and resulting small radiative transition probabilities with rapidly growing interaction strength for Rydberg…
Recent advances in theoretical atomic physics have enabled large-scale calculation of atomic parameters for a variety of atomic processes with high degree of precision. The development and application of these methods is the aim of the Iron…