Related papers: A project based on Multi-Configuration Dirac-Fock …
We describe a code designed for hot media {(T $\ge$} a few 10$^4$ K), optically thick to Compton scattering. It computes the structure of a plane-parallel slab of gas in thermal and ionization equilibrium, illuminated on one side or on both…
By use of the \textsc{grasp2018} package we perform Multiconfiguration Dirac-Hartree-Fock (MCDHF) calculations with configuration interaction (CI) for the $^{1}S_{0}$ and $^{3}P_{0,1}^o$ levels in neutral cadmium and mercury. By supplying…
Optical Emission Spectroscopy is a widely used technique for plasma diagnosis, with particular interest in hydrogen atomic emission due to its prevalence in plasmas. However, accurately determining plasma parameters like electron density,…
Silver is a key tracer of the weak r-process in late-type stars. However, when the assumption of local thermodynamic equilibrium (LTE) needs to be relaxed, accurate abundance determinations become even more sensitive to complete sets of…
Parametric down-conversion (PDC) is the established standard for the practical generation of a multiplicity of quantum optical states. These include two-mode squeezed vacuum, heralded non-Gaussian states and entangled photon pairs. Detailed…
Thermally activated delayed fluorescence (TADF) is a promising route towards high-efficiency, metal-free organic light-emitting diodes (OLEDs). However, the characterization of TADF kinetics in solid-state thin films is often complicated by…
Computationally efficient nonlinear model predictive control relies on elaborate discrete-time optimal control problem (OCP) formulations trading off accuracy with respect to the continuous-time problem and associated computational burden.…
We present a second-order formulation of multi-reference algebraic diagrammatic construction theory [Sokolov, A. Yu. J. Chem. Phys. 2018, 149, 204113] for simulating photoelectron spectra of strongly correlated systems (MR-ADC(2)). The…
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…
In this article we introduce Line Smoothness-Increasing Accuracy-Conserving Multi-Resolution Analysis\linebreak (LSIAC-MRA). This is a procedure for exploiting convolution kernel post-processors for obtaining more accurate multi-dimensional…
The increasing complexity and scale of photonic and electromagnetic devices demand efficient and accurate numerical solvers. In this work, we develop a parallel overlapping domain decomposition method (DDM) based on the finite-difference…
We introduce a rigorous method to microscopically compute the observables which characterize the thermodynamics and kinetics of rare macromolecular transitions for which it is possible to identify a priori a slow reaction coordinate. In…
We propose an algorithm for low Mach number reacting flows subjected to electric field that includes the chemical production and transport of charged species. This work is an extension of a multi-implicit spectral deferred correction…
We explore Implicit Monte Carlo (IMC) and Discrete Diffusion Monte Carlo (DDMC) for radiation transport in high-velocity outflows with structured opacity. The IMC method is a stochastic computational technique for nonlinear radiation…
We present new atomic data (radiative transitions rates and collision strengths) from large scale calculations and a non-LTE spectral model for Fe III. This model is in very good agreement with observed astronomical emission spectra, in…
In this paper, in order to tackle major challenges of spectrum exploration \& allocation in Cognitive Radio (CR) networks, we apply the general framework of Decision Fusion (DF) to wideband collaborative spectrum sensing based on Orthogonal…
Petaflop architectures are currently being utilized efficiently to perform large scale computations in Atomic, Molecular and Optical Collisions. We solve the Schroedinger or Dirac equation for the appropriate collision problem using the…
The Dirac operator provides a unified framework for processing signals defined over different order topological domains, such as node and edge signals. Its eigenmodes define a spectral representation that inherently captures cross-domain…
We present a scalable Bayesian framework for the analysis of confocal fluorescence spectroscopy data, addressing key limitations in traditional fluorescence correlation spectroscopy methods. Our framework captures molecular motion,…
In this paper we present two unconditionally energy stable finite difference schemes for the Modified Phase Field Crystal (MPFC) equation, a sixth-order nonlinear damped wave equation, of which the purely parabolic Phase Field Crystal (PFC)…