Related papers: Predicting Core Electron Binding Energies in Eleme…
Electronic stopping cross sections (SCS) of nickel, silicon and nickel-silicon alloys for protons and helium (He) ions are studied in the regime of medium and low energy ion scattering, i.e., for ion energies in the range from 500 eV to 200…
This paper presents the electron and photon energy calibration obtained with the ATLAS detector using 140 fb$^{-1}$ of LHC proton-proton collision data recorded at $\sqrt{s}=13$ TeV between 2015 and 2018. Methods for the measurement of…
Highly precise measurements of the $^{99}$Tc beta spectrum were performed in two laboratories using metallic magnetic calorimeters. Independent sample preparations, evaluation methods and analyses yield consistent results and the spectrum…
The Tamm-Dancoff Approximation (TDA) offers a computationally efficient alternative to full linear-response Time-Dependent Density Functional Theory (TDDFT) for calculating electronic excited states, particularly in large molecular systems.…
The computational design of heteroatom-doped organic dyes for dye-sensitized solar cells (DSSCs) remains challenging, as predictive methods must accurately describe long-range charge-transfer (CT) excitations while remaining computationally…
We report the first global study of dynamic correlation energies (DCEs) associated with rotational motion and quadrupole shape vibrational motion in a covariant energy density functional (CEDF) for 575 even-even nuclei with proton numbers…
We consider a class of strongly correlated Fermi systems that exhibit an interaction-induced flat band pinned to the Fermi surface, and generalize the Landau strategy to accommodate a flat band and apply the more comprehensive theory to…
Experimental investigations of ultrafast magnetization dynamics increasingly employ resonant magnetic spectroscopy in the ultraviolet spectral range. Besides allowing to disentangle the element-specific transient response of functional…
These are introductory lectures to some aspects of the physics of strongly correlated electron systems. I first explain the main reasons for strong correlations in several classes of materials. The basic principles of dynamical mean-field…
We present the first-principles determination of electronic stopping power for protons and {\alpha} particles in a semiconductor material of great technological interest: silicon carbide. The calculations are based on nonequilibrium…
By judicious use of extrapolations to the 1-particle basis set limit and $n$-particle calibration techniques, total atomization energies of molecules with up to four heavy atoms can be obtained with calibration accuracy (1 kJ/mol or better,…
The structure of superheavy elements newly discovered in the $^{208}$Pb($^{86}$Kr,n) reaction at Berkeley is systematically studied in the Relativistic Mean Field (RMF) approach. It is shown that various usually employed RMF forces, which…
First principles studies were performed in order to find out the possibility of inducing half-metallicity in Heusler Compound CoFeMnSb, by means of alloying it with 3d-transition metal elements. Proper alloying element is selected through…
A benchmark ab initio and density functional (DFT) study has been carried out on the electron affinities of the first- and second-row atoms. The ab initio study involves basis sets of $spdfgh$ and $spdfghi$ quality, extrapolations to the…
Most elemental metals under ambient conditions adopt simple structures such as BCC, FCC and HCP in specific groupings across the Periodic Table, and on compression, many of these elements undergo transitions to surprisingly complex…
The description of electronic exchange--correlation effects is of paramount importance for many applications in physics, chemistry, and beyond. In a recent Letter, Dornheim \textit{et al.} [\textit{Phys. Rev. Lett.}~\textbf{125}, 235001…
No lines have been observed for transitions between the doublet and quartet levels of B I. Consequently, energy levels based on observation for the latter are obtained through extrapolation of wavelengths along the iso-electronic sequence…
We investigate a novel method of accurate calculation of the neutrinoless double-$\beta$ decay shell-model nuclear matrix elements for the experimentally relevant case of $^{76}$Ge. We demonstrate that with the new method the nuclear matrix…
Monte Carlo simulations have been performed in order to evaluate the efficiencies of several light ions identification techniques. The detection system was composed with layers of scintillating material to measure either the deposited…
The photon-meson transition form factors of light pseudoscalar mesons $\pi ^{0}$, $\eta$, and $\eta ^{\prime}$ are systematically calculated in a light-cone framework, which is applicable as a light-cone quark model at low $Q^{2}$ and is…