Related papers: A project based on Multi-Configuration Dirac-Fock …
Absorption and emission spectra of plasmas with multicharged-ions contain transition arrays with a huge number of coalescent electric-dipole (E1) lines, which are well suited for treatment by the unresolved transition array and derivative…
Absorption and emission spectra of multicharged-ion plasmas contain a huge number of electron configurations and electric-dipolar lines, which can be handled by global methods. However, some transition arrays consist only of a small bunch…
The multiconfiguration time-dependent Hartree-Fock (MCTDHF) method is formulated for treating the coupled electronic and nuclear dynamics of diatomic molecules without the Born- Oppenheimer approximation. The method treats the full…
We present a new code, RCF("Radiative-Collisional code based on FAC"), which is used to simulate steady-state plasmas under non local thermodynamic equilibrium condition, especially photoinization dominated plasmas. RCF takes almost all of…
We use the multiconfiguration Dirac-Hartree-Fock (MCDHF) method combined with the relativistic configuration interaction (RCI) approach (GRASP2K) to provide a consistent set of transition energies and radiative transition data for the lower…
The multiconfiguration Dirac-Hartree-Fock (MCDHF) and relativistic configuration interaction (RCI) methods are used to provide excitation energies, radiative transition data, lifetimes, Lande g-factors, hyperfine interaction constants and…
We present recent evolutions of the detailed opacity code SCO-RCG which combines statistical modelings of levels and lines with fine-structure calculations. The code now includes the Partially-Resolved-Transition-Array model, which allows…
Semidefinite programming (SDP) is widely acknowledged as one of the most effective methods for deriving the tightest lower bounds of the optimal power flow (OPF) problems. In this paper, an enhanced semidefinite relaxation model that…
G.~Hazak and J.~Kurzweil discovered a method of configurational resolution of transition arrays for the Super Transition Arrays approach to the bound-bound opacity calculation. Their method is based on the representation of the…
The multiconfiguration Dirac-Fock (MCDF) model uses a linear combination of Slater determinants to approximate the electronic $N$-body wave function of a relativistic molecular system, resulting in a coupled system of nonlinear eigenvalue…
Cancer drug response varies widely across tumors due to multi-layer molecular heterogeneity, motivating computational decision support for precision oncology. Despite recent progress in deep CDR models, robust alignment between…
The computation of radiative opacity or emissivity of hot dense matter is a challenging task. It requires accounting for an immense number of energy levels and lines across various excitation and ionization states. Whether in local…
We present the hybrid opacity code SCO-RCG which combines statistical approaches with fine-structure calculations. Radial integrals needed for the computation of detailed transition arrays are calculated by the code SCO (Super-configuration…
Multitrace formulations (MTFs) are based on a decomposition of the problem domain into subdomains, and thus domain decomposition solvers are of interest. The fully rigorous mathematical MTF can however be daunting for the non-specialist. We…
The calculation of the hot plasma bound-free opacity according to the average atom models often leads to a noticeable effect of initial configuration on the shell ionization threshold. For the related problem of taking into account the…
A collisional-radiative model describing nonlocal-thermodynamic-equilibrium plasmas is developed. It is based on the HULLAC (Hebrew University Lawrence Livermore Atomic Code) suite for the transitions rates, in the zero-temperature…
In solar physics, a severe numerical challenge for modern simulations is properly representing a transition region between the million-degree hot corona and a much cooler plasma of about 10000 K (e.g., the upper chromosphere or a…
We present a multi-reference generalization of the algebraic diagrammatic construction theory (ADC) [J. Schirmer, Phys. Rev. A 26, 2395 (1982)] for excited electronic states. The resulting multi-reference ADC approach (MR-ADC) can be…
The multiconfiguration Dirac-Hartree-Fock (MCDHF) method has been employed to calculate atomic electric dipole moments (EDM) of 225^Ra, 199^Hg, and 171^Yb. For the calculations of the matrix elements we extended the relativistic atomic…
Large-scale calculations of atomic structures and radiative properties have been carried out for singly, doubly- and trebly ionized cerium. For this purpose, the purely relativistic multiconfiguration Dirac-Hartree-Fock (MCDHF) method was…