Related papers: Atomic and Molecular Impurities in $^4$He Clusters
Binding energies and density profiles of two-dimensional systems of liquid He-4 with different geometries are studied by means of a zero-range density functional adjusted to reproduce the line tension obtained in a previous diffusion Monte…
This paper presents an analysis of the motion of an neutral impurity species in a nanometer scale $^4$He cluster, extending a previous study of the dynamics of an ionic impurity. It is shown that for realistic neutral impurity-He…
The framework of nuclear energy density functionals is applied to a study of the formation and evolution of cluster states in nuclei. The relativistic functional DD-ME2 is used in triaxial and reflection-asymmetric relativistic…
This paper presents an analysis of the motion of an impurity ion in a nanometer scale $^4$He cluster. Due to induction forces, ions are strongly localized near the center of the cluster, with a root mean squared thermal displacements of…
Within density functional theory, we have obtained the structure of $^4$He droplets doped with neutral calcium atoms. These results have been used, in conjunction with newly determined {\it ab-initio} $^1\Sigma$ and $^1\Pi$ Ca-He pair…
Analytical expressions for the binding energy of electrons and positrons in dielectric clusters, analysed in this work, neglect the elastic effects. Therefore, we present the density-functional theory for neutral liquid clusters that…
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…
Properties of point defects resulting from the incorporation of inert-gas atoms in bcc tungsten are investigated systematically using first-principles density functional theory (DFT) calculations. The most stable configuration for the…
The system of bose liquid + impurity is considered. The energy spectrum as well as effective mass of impurity is calculated. For the case of the $ ^3He$ atom in superfluid $^4He$ numerical calculations are performed.
The existence of vacancy--impurity clusters due to quantum properties of vacancies in phase separated solid solutions of 4He in 3He is analyzed and discussed. Additional mechanism called vacancy assisted nucleation is proposed. According to…
We implement manifestly microscopic many-body methods to study the dynamics of atomic impurities in a host quantum fluid, specifically $^4$He. Our investigations are motivated by experiments of muonium atoms within $^4$He with the goal of…
The binding energies of n < 100 carbon clusters are calculated using the ab-initio density functional theory code Quantum Espresso. Carbon cluster geometries are determined using several levels of classical techniques and further refined…
We discuss the binding energy E_b of impurities in semiconductors within density functional theory (DFT) and the GW approximation, focusing on donors in nanowires as an example. We show that DFT succeeds in the calculation of E_b from the…
Experimental observation of superfluidity in a microscopic cluster, $M:(^4He)_x$, of a molecule ($M$) and $x$ number of $^4He$ atoms (with $x$ ranging from 1 to many) is qualitatively analyzed. It concludes that: (i) each $^4He$ atom in the…
We use a quantum lattice gas model to describe essential aspects of the motion of 4He atoms and of 3He impurities in solid 4He. This study suggests that 3He impurities bind to defects and promote 4He atoms to interstitial sites which can…
We report ground state energies and structural properties for small helium clusters (4He) containing an H- impurity computed by means of variational and diffusion Monte Carlo methods. Except for 4He_2H- that has a noticeable contribution…
Encouraged by experiments on $^4$He in aerogels, we confine planar spins in the pores of simulated aerogels (diffusion limited cluster-cluster aggregation) in order to study the effect of quenched disorder on the critical behavior of the…
The charge form factor of ${}^6$Li nucleus is considered on the basis of its cluster structure. The charge density of ${}^6$Li is presented as a superposition of two terms. One of them is a folded density and the second one is a sum of…
A microscopic calculation of the effective mass of one $^4$He impurity in homogeneous liquid $^3$He at zero temperature is performed for an extended Jastrow--Slater wave function, including two-- and three--body dynamical correlations and…
We employ the constrained density functional theory to investigate cluster phenomena for the $^{12}$C nucleus. The proton and neutron densities are generated from the placement of three $^{4}$He nuclei (alpha particles) geometrically. These…