Related papers: Lithium ions solvated in helium
It is shown that the non-relativistic ground state energy of helium-like and lithium-like ions with static nuclei can be interpolated in full physics range of nuclear charges $Z$ with accuracy of not less than 6 decimal digits (d.d.) or 7-8…
$^4$He nanodroplets doped with an alkali ion feature a snowball of crystallized layers surrounded by superfluid helium. For large droplets, we predict that a transitional supersolid layer can form, bridging between the solid core and the…
The diffusion Monte Carlo method with symmetry-based state selection is used to calculate the quantum energy states of H$_2^+$ confined into potential barriers of atomic dimensions (a model for these ions in solids). Special solutions are…
Understanding the nature of solvated electrons is important in studying a range of chemical and biological phenomena. This study investigates the structural and dynamical behavior of an excess electron in water, examining different…
We numerically study the ground state properties of endohedrally confined hydrogen (H) or helium (He) atom by a molecule of C$_{60}$. Our study is based on Diffusion Monte Carlo method. We calculate the effects of centered and small…
Here the recently proposed time-dependent quantum Monte Carlo method is applied to three dimensional para- and ortho-helium atoms subjected to an external electromagnetic field with amplitude sufficient to cause significant ionization. By…
Recent observations and theoretical investigations of neutron stars indicate that their atmospheres consist not of hydrogen or iron but possibly other elements such as helium. We calculate the ionization and dissociation equilibrium of…
Lithium-ion battery performance is strongly influenced by the ionic conductivity of the electrolyte, which depends on the speed at which Li ions migrate across the cell and relates to their solvation structure. The choice of solvent can…
Aqueous lithium chloride solutions up to very high concentrations were investigated in classical molecular dynamics simulations. Various force fields based on the 12-6 Lennard-Jones model, parametrized for non-polarizable water solvent…
We present three-dimensional Monte-Carlo simulations of the capture of 1000 K $^7$Li or 500 K $^{87}$Rb atoms by a continuous supersonic $^4$He jet and show that intense alkali-metal beams form with narrow transverse and longitudinal…
A novel method for simulating the statistical mechanics of molecular systems in which both nuclear and electronic degrees of freedom are treated quantum mechanically is presented. The scheme combines a path integral description of the…
Helium abundances and atmospheric parameters have been determined from high resolution spectra for a new sample of 46 bright hot subdwarf B (sdB) stars. The helium abundances have been measured with high accuracy. We confirm the correlation…
The "stellar" solution to the cosmological lithium problem proposes that surface depletion of lithium in low-mass, metal-poor stars can reconcile the lower abundances found for Galactic halo stars with the primordial prediction. Globular…
The observations of light elements in the Sun and Solar type stars give special clues for understanding the hydrodynamical processes at work in stellar interiors. In the Sun 7Li is depleted by 140 while 3He has not increased by more than…
We aim to constrain the mixing processes in low-mass stars by investigating the behaviour of the Li surface abundance after the main sequence. We take advantage of the data from the sixth internal data release of Gaia-ESO, idr6, and from…
We use our newly constructed quantum Gibbs ensemble Monte Carlo algorithm to perform computer experiments for the two phase coexistence of a hydrogen-helium mixture. Our results are in quantitative agreement with the experimental results of…
We have measured the Li abundance of 18 stars with -2 <~ [Fe/H] ~< -1 and 6000 K <~ Teff <~ 6400 K, a parameter range that was poorly represented in previous studies. We examine the Galactic chemical evolution (GCE) of this element,…
Hot dense helium is studied with first-principles computer simulations. By combining path integral Monte Carlo and density functional molecular dynamics, a large temperature and density interval ranging from 1000 to 1000000 K and 0.4 to 5.4…
A path integral Monte Carlo method based on the worm algorithm has been developed to compute the chemical potential of interacting bosonic quantum fluids. By applying it to finite-sized systems of helium-4 atoms, we have confirmed that the…
We present the first robust helium (He) abundance measurements in star-forming galaxies at redshifts $1.6\lesssim z\lesssim 3.3$ using deep, moderate-resolution JWST/NIRSpec spectroscopy from the AURORA survey. We establish a High$-z$ HeI…