Related papers: Closed-shell interaction in silver and gold chlori…
Recent experiments on nanoclusters of silver (Ag) embedded in a gold (Au) matrix reveal a huge increase in both the zero temperature resistivity and the coefficient of the ``$T$ linear'' thermal resistivity with increasing volume fraction…
The interaction between $\Lambda_c$ and a nucleon ($N$) is investigated by employing the HAL QCD method in the (2+1)-flavor lattice QCD on a $(2.9~\mathrm{fm})^3$ volume at $m_\pi \simeq 410,~570,~700$ MeV. We study the central potential in…
Recently the STAR Collaboration discovered the "subatomic swirls", that is, the most vortical fluid flow structures in the quark-gluon plasma produced via the AuAu collisions at the Relativistic Heavy Ion Collider (RHIC). Published in…
We investigate ground state properties of singly charged chlorine (Cl$^-$) and gold (Au$^-$) negative ions by employing four-component relativistic many-body methods. In our approach, we attach an electron to the respective outer orbitals…
The behavior of identical particles interacting through the harmonic-repulsive pair potential has been studied in 3D using molecular dynamics simulations at a number of different densities. We found that at many densities, as the…
Analysis of hyperfine structure constants of singly ionised cobalt (Co II) were performed on cobalt spectra measured by Fourier transform spectrometers in the region $3000-63000$ cm$^{-1}$ ($3333-159$ nm). Fits to over $700$ spectral lines…
Gold nanoclusters have been the focus of numerous computational studies but an atomistic understanding of their structural and dynamical properties at finite temperature is far from satisfactory. To address this deficiency, we investigate…
Near-critical binary mixtures containing ions and confined between two charged and selective surfaces are studied within a Landau-Ginzburg theory extended to include electrostatic interactions. Charge density profiles and the effective…
A strong suppression of non-photonic electrons in Au+Au collisions is observed at RHIC. This is in disagreement with the expected dominance of the energy loss via gluon radiation, which predicts a much weaker suppression of heavy flavours…
The ab initio computational method known as Hubbard-corrected density functional theory (DFT+$U$) captures well ground electronic structures of a set of solids that are poorly described by standard DFT alone. Since lattice dynamical…
Algebraic diagrammatic construction (ADC) is a computationally efficient approach for simulating excited electronic states, absorption spectra, and electron correlation. Due to their origin in perturbation theory, the single-reference ADC…
We report the synthesis and structural characterisation of the molecular framework copper(I) hexacyanocobaltate(III), Cu$_3$[Co(CN)$_6$], which we find to be isostructural to H$_3$[Co(CN)$_6$] and the colossal negative thermal expansion…
An ab initio study of the doping of alkali halide crystals (AX: A = Li, Na, K, Rb; X = F, Cl, Br, I) by ns2 anions (Ag- and Cu-) is presented. Large active clusters with 179 ions embedded in the surrounding crystalline lattice are…
Iron-sulfur clusters conduct a wide variety of biochemical reactions that are conserved across all domains of life. The hyperfine structure of reactive ligands of these clusters can be studied experimentally and theoretically by means of…
We present a quantitative analysis of two-particle interaction effects in generalized, one-dimensional Aubry-Andr\'e-Harper models with the Fermi energy placed in one of the band gaps. We investigate systems with periodic as well as open…
We develop a simulation method which allows us to calculate the critical micelle concentrations for ionic surfactants in the presence of different salts. The results are in good agreement with the experimental data. The simulations are…
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…
We study the structural properties of some nuclei in the region of light mass using simple effective interaction in the frame work of microscopic non relativistic Hartree-Fock and relativistic mean field formalism. For the reaction…
12\% (wt.) silver containing catalysts were prepared by aqueous ion-exchange of Ag$^+$ against Na$^+$ in NaA zeolite. Hydrogen reduction leads to the formation of silver clusters. The results of X-ray absorption spectroscopy experiments at…
Accurate knowledge of the thermodynamic properties of zero-temperature, high-density quark matter plays an integral role in attempts to constrain the behavior of the dense QCD matter found inside neutron-star cores, irrespective of the…