Related papers: Lithium ions solvated in helium
The Lagrange-mesh method has the simplicity of a calculation on a mesh and can have the accuracy of a variational method. It is applied to the study of a confined helium atom. Two types of confinement are considered. Soft confinements by…
Density-functional theory calculations based on conventional as well as hybrid exchange-correlation functionals have been carried out to study the properties of helium in various oxides (Al2O3, TiO2, Y2O3, YAP, YAG, YAM, MgO, CaO, BaO, SrO)…
Ternary Li halides, such as Li$_3$MeX$_6$ with, e.g., Me = In, Sc, Y and X = Cl, Br, are in the center of attention for battery applications as these materials might serve as ionic electrolytes. To fulfill their function, such electrolytes…
The possibility of the $^8$He and $^{9}$Li clusters in atomic nuclei is discussed. Until now most of the clusters in the conventional models have been limited to the closures of the three-dimensional harmonic oscillators, such as $^4$He,…
We present a new Monte Carlo method which couples Path Integral for finite temperature protons with Quantum Monte Carlo for ground state electrons, and we apply it to metallic hydrogen for pressures beyond molecular dissociation. This…
We have observed a Bose-Einstein Condensate in a dilute gas of $^4$He in the $2^3S_1$ metastable state. We find a critical temperature of $(4.7\pm0.5) \mu$K and a typical number of atoms at the threshold of $8\times10^6$. The maximum number…
Hydrogen single-particle dynamics in solid LiH at T=20 K has been studied through the incoherent inelastic neutron scattering technique. A careful analysis of the scattering data has allowed for the determination of a reliable…
We examine the evolution of Li in the Galactic disk,basing our model on the compilation of Li v.Fe observations in stars of iron abundance ranging between halo values,which give a baseline for the disk Li abundance,and 0.2 dex above…
Helium is generally understood to be chemically inert and this is due to its extremely stable closed-shell electronic configuration, zero electron affinity and an unsurpassed ionization potential. It is not known to form thermodynamically…
Motivated by experimental hints for supersolidity in Helium-4, we perform Monte Carlo simulations of vacancies and interstitials in a classical two-and three-dimensional Lennard-Jones solid. We confirm a strong binding energy of vacancies…
The quantum mechanics of two-electron systems is reviewed, starting with the ground state of the helium atom and helium-like ions, with central charge $Z\ge 2$. For Z=1, demonstrating the stability of the negative hydrogen ion, H$^-$,…
Lithium abundances for red giants in the GALAH DR3 survey are studied. The rare examples of Li-enriched stars with abundances A(Li) $\geq 1.5$ are confirmed to be He-core burning stars belonging to or evolved from the red clump with similar…
We present a quantum Monte Carlo study of the solvation and spectroscopic properties of the Mg doped helium clusters MgHe$_n$ with $n=2-50$. Three high level (MP4, CCSD(T) and CCSDT) MgHe interaction potentials have been used to study the…
We present a non-local thermodynamic equilibrium abundance analysis of the resonance doublet Li I at 6707.8 A for 55 Galactic F and G supergiants and bright giants. The derived lithium abundances log \epsilon(Li) may be considered in three…
Protons and heavy-ion beams at unprecedented energies are brought into collisions in the CERN Large Hadron Collider for high-energy experiments. The LHC multi-stage collimation system is designed to provide protection against regular and…
Employing a classical density-functional description of liquid environments, we introduce a rigorous method for the diffusion quantum Monte Carlo calculation of free energies and thermodynamic averages of solvated systems that requires…
The lithium-carbon binary system possesses a broad range of chemical compounds, which exhibit fascinating chemical bonding characteristics that give rise diverse and technologically important properties. While lithium carbides with various…
We show that both confined atoms and electron-atom scattering can be described by a unified basis set method. The central idea behind this method is to place the atom inside a hard potential sphere, enforced by a standard Slater type basis…
Using the sample of 348 stars from the PennState-Torun Centre for Astronomy Planet Search, for which uniformly determined atmospheric parameters are available, with chemical abundances and rotational velocities presented here, we…
The mechanism of ionization of helium droplets has been investigated in numerous reports but one observation has not found a satisfactory explanation: How are $He^+$ ions formed and ejected from undoped droplets at electron energies below…