Related papers: A project based on Multi-Configuration Dirac-Fock …
Thermal multi-phase flow simulations are indispensable to understanding the multi-scale and multi-physics phenomena in metal additive manufacturing (AM) processes, yet accurate and robust predictions remain challenging. This book chapter…
In this study a comprehensive calculations of energies, hyperfine structure constants, Land\'e g$_J$ factors and isotope shifts have been performed for the lowest 71 states of Na-like Ar$^{7+}$, Kr$^{25+}$ and Xe$^{43+}$ ions. Radiative…
Aims. We present MCFOST-art, a new non-local thermodynamic equilibrium radiative transfer solver for multilevel atomic systems. The code is embedded in the 3D radiative transfer code MCFOST and is compatible with most of the MCFOST modules.…
In the present work, a highly efficient Moving Morphable Component (MMC) based approach for multi-resolution topology optimization is proposed. In this approach, high-resolution optimization results can be obtained with much less number of…
We present a new open source software for the integration of the radial Dirac equation developed specifically with muonic atoms in mind. The software, called mudirac, is written in C++ and can be used to predict frequencies and…
We present a robust, ab initio method for addressing atom-light interactions and apply it to photoionization of argon. We use a close-coupling ansatz constructed on a multi-configurational Hartree-Fock description of localized states and…
Multi-molecular excited states accompanied by an intra- and inter-molecular geometric relaxation are commonly encountered in optical and electrooptical studies and applications of organic semiconductors as, for example excimers or charge…
The multiconfiguration Dirac-Hartree-Fock (MCDHF) model has been employed to calculate the transition rates between the nine lowest levels of radium. The dominant rates were then used to evaluate the radiative lifetimes. The decay of the…
This paper investigates the multiple-input-multiple-output (MIMO) massive unsourced random access in an asynchronous orthogonal frequency division multiplexing (OFDM) system, with both timing and frequency offsets (TFO) and non-negligible…
A new method, 'Configurationally-Resolved-Super-Transition-Arrays', for calculation of the spectral absorption coefficient in hot plasmas is presented. In the new method, the spectrum of each Super-Transition-Array is evaluated as the…
Extensive self-consistent multi-configuration Dirac-Hartree-Fock (MCDHF) calculations are performed for the $3s^2 3p^6 3d^k$ ($k=1-9$) ground configurations of highly charged ions ($Z=72-83$). Complete and consistent data sets of…
The broadening of lines by Stark effect is widely used for inferring electron density and temperature in plasmas. Stark-effect calculations often rely on atomic data (transition rates, energy levels,...) not always exhaustive and/or valid…
MFC is an open-source tool for solving multi-component, multi-phase, and bubbly compressible flows. It is capable of efficiently solving a wide range of flows, including droplet atomization, shock-bubble interaction, and gas bubble…
Multiscale Proper Orthogonal Decomposition (mPOD) decomposes fluid flows into energy-optimal modes within prescribed frequency bands by combining Proper Orthogonal Decomposition with a multiresolution analysis (MRA). In its classical…
The LDA+DMFT approach merges conventional band structure theory in the local density approximation (LDA) with a state-of-the-art many-body technique, the dynamical mean-field theory (DMFT). This new computational scheme has recently become…
An algorithm for the calculation of hyperfine structure and spectra of diatomic molecules based on the variational nuclear motion is presented. Hyperfine coupling terms considered are Fermi-contact, nuclear spin-electron spin dipole-dipole,…
Petaflop architectures are currently being utilized efficiently to perform large scale computations in Atomic, Molecular and Optical Collisions. We solve the Schr\"odinger or Dirac equation for the appropriate collision problem using the…
Radiative emission lines from nitrogen and its ions are often observed in nebulae spectra, where the N$^{2+}$ abundance can be inferred from lines of the 2p4f configuration. In addition, intensity ratios between lines of the 2p3p -- 2p3s…
The $4d \to 3p$ x-ray transitions in Cu- and Ni-like tungsten ions have been studied theoretically. The multiconfiguration Dirac-Hartree-Fock (MCDHF) method and the large-scale relativistic configuration-interaction (CI) method have been…
Our computation effort is primarily concentrated on support of current and future measurements being carried out at various synchrotron radiation facilities around the globe, and photodissociation computations for astrophysical…