Related papers: Atomic data and spectral model for Fe III
We report calculations of energy levels, radiative rates, and electron impact excitation rates for transitions in Li-like ions with 12 <= Z <= 20. The GRASP (general-purpose relativistic atomic structure package) is adopted for calculating…
We review a large body of predictions obtained within the framework of relativistic meson theory together with the Dirac-Brueckner-Hartree-Fock approach to nuclear matter and finite nuclei. The success of this method has been largely…
Background: Nuclear fission is a complex large-amplitude collective decay mode in heavy nuclei. Microscopic density functional studies of fission have previously concentrated on adiabatic approaches based on constrained static calculations…
In this work, we perform a model-to-data comparison for U+U and Au+Au collisions performed at RHIC at $\sqrt{s_{\rm NN}}$ = $193$ GeV and $200$ GeV, using a multistage framework. Model calculations for various configurations of $^{238}$U…
Relativistic Hartree-Fock method together with many-body perturbation theory and configuration interaction techniques are used to calculate relativistic energy shifts for frequencies of the strong electric dipole transitions of C III, C IV,…
Energies and transition probabilities of K$\beta$ hypersatellite lines are computed using the Dirac-Fock model for several values of $Z$ throughout the periodic table. The influence of the Breit interaction on the energy shifts from the…
We present algebraic diagrammatic construction theory for simulating spin-orbit coupling and electron correlation in charged electronic states and photoelectron spectra. Our implementation supports Hartree-Fock and multiconfigurational…
We have carried-out two intermediate coupling frame transformation (ICFT) R-matrix calculations for the electron-impact excitation of C-like Fe $^{20+}$, both of which use the same expansions for their configuration interaction (CI) and…
Strong field photoemission and electron recollision provide a viable route to extract electronic and nuclear dynamics from molecular targets with attosecond temporal resolution. However, since an {\em ab-initio} treatment of even the…
This paper presents an implementation of the non-iterative eigenchannel R-matrix method for the Dirac equation. It includes a brief introduction, implementation details, and results for the photoionization cross-section of the beryllium…
There are major discrepancies between recent B-spline R-matrix (BSR) and Dirac Atomic R-matrix Code (DARC) calculations regarding electron-impact excitation rates for transitions in Mg$^{4+}$, with claims that the DARC calculations are much…
Topological phases arise from the elegant mathematical structures imposed by the interplay between symmetry and topology1-5. From gapped topological insulators to gapless semimetals, topological materials in both quantum and classical…
Effective collision strengths for forbidden transitions among the 5 energetically lowest finestructure levels of O II are calculated in the Breit-Pauli approximation using the R-matrix method. Results are presented for the electron…
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…
Employing two state-of-the-art methods, multiconfiguration Dirac--Hartree--Fock and second-order many-body perturbation theory, highly accurate calculations are performed for the lowest 272 fine-structure levels arising from the $2s^{2}…
We benchmark angular-momentum projected{-after-variation} Hartree-Fock calculations as an approximation to full configuration-interaction results in a shell model basis. For such a simple approximation we find reasonably good agreement…
We present the results of extended theoretical LDA+DMFT calculations for a new iron-pnictide high temperature superconductor NaFeAs compared with the recent high quality angle-resolved photoemission (ARPES) experiments on this system [1].…
Simulations and diagnostics of high-energy-density plasmas and warm dense matter rely on models of material response properties, both static and dynamic (frequency-dependent). Here, we systematically investigate variations in dynamic…
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…
A recently developed finite element approach for fully numerical atomic structure calculations [S. Lehtola, Int. J. Quantum Chem. 119, e25945 (2019)] is extended to the description of atoms with spherically symmetric densities via…