Related papers: Ca impurity in small mixed $^4$He-$^3$He clusters
Using density functional theory, we investigate the structure of mixed $^3$He$_{N_3}$-$^4$He$_{N_4}$ droplets with an embedded impurity (Xe atom or HCN molecule) which pins a quantized vortex line. We find that the…
Solid isotopic helium mixtures have been studied by path-integral Monte Carlo simulations in the isothermal-isobaric ensemble. This method allowed us to study the molar volume as a function of temperature, pressure, and isotopic…
The thermodynamic stability of structural isomers of $\mathrm{C}_{24}$, $\mathrm{C}_{26}$, $\mathrm{C}_{28}$ and $\mathrm{C}_{32}$, including fullerenes, is studied using density functional and quantum Monte Carlo methods. The energetic…
Relaxation processes following inner-valence ionization of a system can be modified dramatically by embedding this system in a suitable environment. Surprisingly, such an environment can be even composed of helium atoms, the most inert…
By means of the exact Path Integral Monte Carlo method we have performed a detailed microscopic study of $^4$He nanodroplets doped with an argon ion, Ar$^+$, at $T=0.5$ K. We have computed density profiles, energies, dissociation energies…
An approach based on He scattering is used to develop an atomic-level structural model for an epitaxially grown disordered sub-monolayer of Ag on Pt(111) at 38K. Quantum scattering calculations are used to fit structural models to the…
Path-integral Monte Carlo calculations have been performed to study the $^4$He adsorption on $\gamma$-graphyne, a planar network of benzene rings connected by acetylene bonds. Assuming the $^4$He-substrate interaction described by a…
Measurements of the helium-cluster breakup and neutron removal cross sections for neutron-rich Be isotopes A=10-12,14 are presented. These have been studied in the 30 to 42 MeV/u energy range where reaction measurements are proposed to be…
Displacements of atoms and molecules away from lattice sites in helium and parahydrogen solids at low temperature have been studied by means of Quantum Monte Carlo simulations. In the bcc phases of He-3 and He-4, atomic displacements are…
We calculate properties of a model of $^4$He in Vycor using the Path Integral Monte Carlo method. We find that $^4$He forms a distinct layered structure with a highly localized first layer, a disordered second layer with some atoms…
We report the realization of a BEC of metastable helium-4 atoms (4He*) in an all optical potential. Up to 10^5 spin polarized 4He* atoms are condensed in an optical dipole trap formed from a single, focused, vertically propagating far…
The angular intensity distribution of He beams scattered from compact clusters and from diffusion limited aggregates, epitaxially grown on metal surfaces, is investigated theoretically. The purpose is twofold: to distinguish compact cluster…
Medium resolution (R=4,000 to 9,000) spectra of the near infrared Ca II lines (at 8498, 8542, and 8662 A) in M31 globular cluster integrated light spectra are presented. In individual stars the Ca II triplet (CaT) traces stellar…
We investigate the cluster size convergence of the energy and observables using two forms of density matrix embedding theory (DMET): the original cluster form (CDMET) and a new formulation motivated by the dynamical cluster approximation…
We have studied the role of an atomic 3He impurity and an interstitial 4He atom in two- and three-dimensional solid 4He using path integral Monte Carlo (PIMC) simulation. We find that when a substitutional 3He impurity is introduced, the…
The presence of first sharp diffraction peaks in the partial structure factors is investigated in computer simulations of molten mixtures of alkali halides. An intermediate range ordering appears for the Li+ ions only, which is associated…
The ground-state properties of two-dimensional liquid $^4$He at zero temperature are studied by means of a quadratic diffusion Monte Carlo method. As interatomic potential we use a revised version of the HFDHE2 Aziz potential which is…
We present quantum calculations of the rotational energy levels and spectroscopic rotational constants of the linear OCS molecule in variable size clusters of 4He, using spectral evolution quantum Monte Carlo methods that allow excited…
We model the quasicrystal-related structure CaCd$_6$, a bcc packing of icosahedral clusters containing tetrahedra which undergo orientational orderings at T<100 K. We use general schemes to evaluate an effective Hamltonian for…
Mixed $^3$He-$^4$He droplets created by hydrodynamic instability of a cryogenic fluid-jet may acquire angular momentum during their passage through the nozzle of the experimental apparatus. These free-standing droplets cool down to very low…