Related papers: A Software Package for Rigorously Calculating Opti…
An extended version of the R-matrix methodology is presented for calculation of radiative parameters for improved plasma opacities. Contrast and comparisons with existing methods primarily relying on the Distorted Wave (DW) approximation…
Unambiguously identifying molecules in spectra is of fundamental importance for a variety of scientific and industrial uses. Interpreting atmospheric spectra for the remote detection of volatile compounds requires information about the…
Wavelength calibration is a routine and critical part of any spectral work-flow, but many astronomers still resort to matching detected peaks and emission lines by hand. We present RASCAL (RANSAC Assisted Spectral CALibration), a python…
The proliferation of spectroscopic data across various scientific and engineering fields necessitates automated processing. We introduce OASIS (Omni-purpose Analysis of Spectra via Intelligent Systems), a machine learning (ML) framework for…
We present ELSA, a new modular software package, written in C, to analyze and manage spectroscopic data from emission-line objects. In addition to calculating plasma diagnostics and abundances from nebular emission lines, the software…
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.…
LibRPA is a software package designed for efficient calculations of random phase approximation (RPA) electron correlation energies from first principles using numerical atomic orbital (NAOs). Leveraging a localized resolution of identity…
This paper introduces a novel approach for automated estimation of plasma temperature and density using emission spectroscopy, integrating Bayesian inference with sophisticated physical models. We provide an in-depth examination of Bayesian…
The PICsIT detector onboard the INTEGRAL satellite was designed to provide information about emission in the soft gamma-ray band for many bright sources. Due to strong and variable instrumental background, only 4 objects have been detected…
With the large amounts of spectroscopic data available today and the very large surveys to come (e.g. Gaia), the need for automatic data analysis software is unquestionable. We thus developed an automatic spectra analysis program for the…
The identification of spectral lines can be a tedious process requiring the interrogation of large spectroscopic databases, but it does lend itself to software algorithms that can determine the characteristics of candidate line…
RESPACK is a first-principles calculation software for evaluating the interaction parameters of materials and is able to calculate maximally localized Wannier functions, response functions based on the random phase approximation and related…
FOS, which means light in Greek, is an open-source program for Fast Optical Spectrum calculations of nanoparticle media. This program takes the material properties and a description of the system as input, and outputs the spectral response…
A basic concept to calculate physical features of non-ideal plasmas, such as optical properties, is the spectral function which is linked to the self-energy. We calculate the spectral function for a non-relativistic hydrogen plasma in…
The increasing availability of high-quality optical and near-infrared spectroscopic data, as well as advances in modelling techniques, have greatly expanded the scientific potential of spectroscopic studies. However, the software tools…
Many sophisticated computer models have been developed to understand the behaviour of particle accelerators. Even these complex models often do not describe the measured data. Interactions of the beam with external fields, other particles…
Photoemission orbital tomography provides direct access from laboratory measurements to the real-space molecular orbitals of well-ordered organic semiconductor layers. Specifically, the application of phase retrieval algorithms to…
Large numbers of MS/MS peptide spectra generated in proteomics experiments require efficient, sensitive and specific algorithms for peptide identification. In the Open Mass Spectrometry Search Algorithm [OMSSA], specificity is calculated by…
Optical emission spectroscopy applied to non-equilibrium plasmas in molecular gases can give important information on basic plasma parameters, including the rotational, vibrational temperatures and densities of the investigated radiative…
Calculating opacities for a wide range of plasma conditions (i.e. temperature, density, element) requires detailed knowledge of the plasma configuration space and electronic structure. For plasmas composed of heavier elements, relativistic…