相关论文: Handling of Atomic Data

Accurate determination of stellar atmospheric parameters and elemental abundances is crucial for Galactic archeology via large-scale spectroscopic surveys. In this paper, we estimate stellar atmospheric parameters -- effective temperature…

We calculate a grid of spherically symmetric OB stellar atmospheres at low metallicities, including both non-local thermodynamic equilibrium (NLTE) and metal line blanketing effects. This is done to assess the uncertainties in helium…

Current X-ray missions are providing high-quality X-ray spectra from neutron stars (NSs) in quiescent low-mass X-ray binaries (qLMXBs). This has motivated us to calculate new hydrogen-atmosphere models, including opacity due to free-free…

Infrared and Raman spectroscopy are widely used for the characterization of gases, liquids, and solids, as the spectra contain a wealth of information concerning in particular the dynamics of these systems. Atomic scale simulations can be…

The WMAP 7-year temperature maps have been re-analized to extract a CMB map and CMB power spectrum with reduced contamination by astrophysical foregrounds and noise. The method used is based on linear combinations of WMAP data and…

Manganese (Mn) is a key Fe-group elements, commonly employed in stellar population and nucleosynthesis studies to explore the role of SN Ia. We have developed a new non-local thermodynamic equilibrium (NLTE) model of Mn, including new…

We propose a novel approach for constructing training databases for Machine-Learned Interatomic Potential (MLIP) models, specifically designed to capture phase properties across a wide range of conditions. The framework is uniquely…

We describe the parallel implementation of our generalized stellar atmosphere and NLTE radiative transfer computer program PHOENIX. We discuss the parallel algorithms we have developed for radiative transfer, spectral line opacity, and NLTE…

Accurate and comprehensive diatomic molecular spectroscopic data have long been vital in a wide variety of applications for measuring and monitoring astrophysical, industrial and other gaseous environments. These data are also used…

Using the code AUTOSTRUCTURE, extensive calculations of inner-shell atomic data have been made for the chemical elements He, C, N, O, Ne, Na, Mg, Al, Si, S, Ar, Ca, Cr, Mn, Fe and Ni. The results are used to obtain up-dated opacities from…

The performance of basis sets made of numerical atomic orbitals is explored in density-functional calculations of solids and molecules. With the aim of optimizing basis quality while maintaining strict localization of the orbitals, as…

In computational PDE-based inverse problems, a finite amount of data is collected to infer unknown parameters in the PDE. In order to obtain accurate inferences, the collected data must be informative about the unknown parameters. How to…

Disorder, though naturally present in experimental samples and strongly influencing a wide range of material phenomena, remains underexplored in first-principles studies due to the computational cost of sampling the large supercell and…

The study of photoionised gas in planetary nebulae (PNe) has played a major role achieving, over the years, a better understanding of a number of physical processes pertinent to a broader range of fields than just PNe studies, ranging from…

We investigate the discrepancy between oxygen abundance estimations for narrow-line regions (NLRs) of Active Galactic Nuclei (AGNs) type Seyfert 2 derived by using direct estimations of the electron temperature (Te-method) and those derived…

Changes in the sky noise spectrum are used to characterize perturbations in the ionosphere. Observations were made at the same sidereal time on multiple days using a calibrated broadband dipole and radio spectrometer covering 80 to 185 MHz.…

We discuss the design and software implementation of a nuclear data evaluation pipeline applied for a fully reproducible evaluation of neutron-induced cross sections of $^{56}$Fe above the resolved resonance region using the nuclear model…

Light-matter dynamics in topological quantum materials enables ultralow-power, ultrafast devices. A challenge is simulating multiple field and particle equations for light, electrons, and atoms over vast spatiotemporal scales on Exaflop/s…

Semi-empirical models of the solar atmosphere are used to study the radiative environment of any planet in our solar system. There is a need for reliable atomic data for neutral atoms and ions in the atmosphere to obtain improved calculated…

Applications of a simple thermal model to ultra-relativistic heavy-ion collisions are presented. We compute abundances of various hadrons, including particles with strange quarks, the pT-spectra, and the HBT radii for the pion. Surprising…