Related papers: Polarizabilities of Intermediate Sized Lithium Clu…
We investigate the properties of clusters formed from two connected $\mathrm{Ge_{m}}$ cage-like clusters, such as experimentally synthesized $\mathrm{Au_3Ge_{18}^{5-}}$, using first-principles DFT methods. We focus particularly on…
Li$_6$PS$_5$Cl is a promising candidate for the solid electrolyte in all-solid-state Li-ion batteries. In applications, this material is in a polycrystalline state with grain boundaries (GBs) that can affect ionic conductivity. While…
Astrophysical plasmas are typically magnetized, with the Larmor radii of the charged particles many orders of magnitude smaller than their collisional mean free paths. The fundamental properties of such plasmas, e.g., conduction and…
The recently developed method combining the configuration interaction and the coupled-cluster method was demonstrated to provide accurate treatment of correlation corrections in divalent atomic systems [M.S.Safronova, M.G.Kozlov, and…
The electronic parameters and, in particular, the isotropic electrostatic polarizability (IEP) of sub-nanoscale magnesium clusters were studied in an expanded set of 1237 structurally unique isomers found in the course of direct global DFT…
Jellium model achieved great success in predicting stable clusters with closed electronic shells and zero spin. In order to explain the stability of open shell clusters, it is necessary to consider the case of non-degenerate energy levels.…
We present high-precision ab initio calculations of the static and dynamic polarizability of the barium monohydroxide ($^{138}$BaOH) molecule, using relativistic coupled-cluster theory. By thoroughly investigating the dependence of the…
We analyze the electric dipole moments (PDMs) and static electric dipole polarizabilities of the alkali--alkaline-earth (Alk-AlkE) dimers by employing finite-field coupled-cluster methods, both in the frameworks of non-relativistic and…
We report on the determination of the dynamical polarizability of ultracold erbium atoms in the ground and in one excited state at three different wavelengths, which are particularly relevant for optical trapping. Our study combines…
The static dipole polarizability of metastable states in the kaonic helium atoms is studied. We use the complex coordinate rotation method to properly account for the resonant nature of the states. Our calculations show that some of the…
We use the spherical collapse model to demonstrate that the observable average density of virialized clusters depends on the properties of dark energy along with the properties of gravity on cluster scales and can therefore be used as a…
Density functional theory calculations have been performed on Indium nanoclusters (Inn, n= 3 to 10) to explore the relative stability among their different isomers and interaction with H2. Geometry optimizations starting from initial…
We conduct a small-scale pathfinding survey designed to identify the average polarization properties of the diffuse ISM locally at the lowest dust content regions. We perform deep optopolarimetric surveys within three $\sim 15' \times 15'$…
Using the POLISH2 polarimeter at the Lick Observatory Shane 3-m and Nickel 1-m telescopes, we discover rotation phase-locked variations in linear polarization to be common among asteroids and a NEO in a clear, 383 to 720 nm bandpass.…
Dipole moments are a simple, global measure of the accuracy of the electron density of a polar molecule. Dipole moments also affect the interactions of a molecule with other molecules as well as electric fields. To directly assess the…
The temperature distribution of field Li-rich red giants suggests the presence of a population of Li-rich red clump (RC) stars. One proposed explanation for this population is that all stars with masses near 2 $M_\odot$ experience a…
We present a physically motivated semi-analytic model to understand the clustering of high redshift LBGs. We show that the model parameters constrained by the observed luminosity function, can be used to predict large scale (\theta > 80…
First-order electric dipole response functions are implemented for cavity quantum electrodynamics (QED) generalizations of Hartree-Fock (HF) and Kohn-Sham density functional theory (DFT) in order to assess the degree to which static…
Grain alignment theory has reached the stage where quantitative predictions of the degree of alignment and its variations with optical depth are possible. With the goal of studying the effect of clumpiness on the sub-millimeter and far…
We study both the spin-average and spin-dependent structure functions of the lithium isotopes, $^{6-11}$Li, which could be measured at RIKEN and other nuclear facilities in the future. It is found that the light-cone momentum distribution…