Related papers: A Software Package for Rigorously Calculating Opti…
A general formulation is developed to demonstrate that atomic autoionizing (AI) resonances are broadened and shifted significantly due to plasma effects across bound-free continua. The theoretical and computational method presented accounts…
We present a new pseudospectral approach for incorporating many-body, nonlocal exact exchange interactions to understand the formation of electron gases in core-shell nanowires. Our approach is efficiently implemented in the open-source…
Accurately simulating molecular vibronic spectra remains computationally challenging due to the exponential scaling of required calculations. Here, we show that employing the linear coupling model within the gaussian boson sampling…
(Abridged) To this purpose, in the course of the thesis work we prepared a suitable software in order to use the same spectra acquired for radial velocity determinations (i.e., with the spectrum of the Iodine cell imprinted on) to measure…
Robotic laser systems offer the potential for sub-millimeter, non-contact, high-precision tissue resection, yet existing platforms lack volumetric planning and intraoperative feedback. We present RATS (Robot-Assisted Tissue Surgery), an…
In this paper, we propose a parallel optimization method for electronic structure calculations based on a single orbital-updating approximation. It is shown by our numerical experiments that the method is efficient and reliable for atomic…
Transiting exoplanet parameter estimation from time-series photometry and Doppler spectroscopy is fundamental to study planets' internal structures and compositions. Here we present the code pyaneti, a powerful and user-friendly software…
Averaged plasma parameters such as electron distribution function and electron density are determined by characterization of high frequency (2.4 GHz) nitrogen-plasma using both experimental methods, namely optical emission spectroscopy…
X-ray photoelectron spectra provide a wealth of information on the electronic structure. The extraction of molecular details requires adequate theoretical methods, which in case of transition metal complexes has to account for effects due…
SOFTSUSY is a program which accurately calculates the spectrum of superparticles in the CP-conserving Minimal Supersymmetric Standard Model (MSSM), with a full flavour mixing structure. The program solves the renormalisation group equations…
We present a novel Relativistic Semi-Implicit Method (RelSIM) for particle-in-cell (PIC) simulations of astrophysical plasmas, implemented in a code framework ready for production runs. While explicit PIC methods have gained widespread…
Real-space refinement of atomic models in macromolecular crystallography or in cryo electron microscopy fits a model to a map obtained experimentally. This requires generating model maps of a limited resolution which moreover may vary from…
Nowadays, several opacity codes are able to provide data for stellar structure models, but the computed opacities may show significant differences. In this work, we present state-of-the-art precise spectral opacity calculations, illustrated…
We present a reliable, narrow linewidth (100 kHz) continuous-wave optical parametric oscillator (OPO) suitable for high-resolution spectroscopy applications. The OPO is based on a periodically-poled lithium-niobate crystal and features a…
This work introduces ParAMS -- a versatile Python package that aims to make parameterization workflows in computational chemistry and physics more accessible, transparent and reproducible. We demonstrate how ParAMS facilitates the parameter…
We describe a new optical diagnostic for determining the composition of gases by measuring the motion of atoms and molecules trapped within very deep optical lattices. This non-resonant method is analogous to conventional Raman scattering,…
We present a new package ZpL for the mathematical software system SM. It implements a sharp tracking of precision on p-adic numbers, following the theory of ultrametric precision introduced in [4]. The underlying algorithms are mostly based…
Recent and upcoming stabilized spectrographs are pushing the frontier for Doppler spectroscopy to detect and characterize low-mass planets. Specifications for these instruments are so impressive that intrinsic stellar variability is…
Deep high-dispersion spectroscopy of Galactic photoionized gaseous nebulae, mainly planetary nebulae and HII regions, has revealed numerous emission lines. As a key step of spectral analysis, identification of emission lines hitherto has…
The orbital angular momentum (OAM) of light provides an unbounded set of orthogonal modes for ultrahigh-capacity optical information processing. However, current OAM detection schemes typically rely on light interference or diffraction,…