Related papers: Atomic and Molecular Impurities in $^4$He Clusters
Three different clusters, Si_9H_12, Si_15H_16, and Si_21H_20, are used in density-functional theory calculations in conjunction with ab initio pseudopotentials to study how the energetics of H_2 dissociativ e adsorption on and associative…
We present a brief review of the classical density functional theory of atomic and molecular fluids. We focus on the application of the theory to the determination of the solvation properties of arbitrary molecular solutes in arbitrary…
A study of properties of the symmetry energy of nuclei is presented based on density functional theory. Calculations for finite nuclei are given so that the study includes isospin dependent surface symmetry considerations as well as isospin…
We investigate the structure of 13-particle clusters in binary alloys for various size ratios and different concentrations via MD simulation. Our goal is to predict which systems are likely to form local icosahedral structures when rapidly…
We have studied both clusters and bulk systems while investigating amorphous states. We have varied the nature of interaction amongst the particles of the system under consideration in order to reveal the possible presence of universality…
Modification of nuclear reactions due to impurities in plasma is investigated. The hindering effect of Coulomb repulsion between reacting particles, that is effective in direct reactions, can practically disappear if Coulomb interaction of…
In the cluster expansion framework of Bose liquids we calculate analytical expressions of the two-body, three-body and four-body diagrams contributing to the g.s. energy of an infinite system of neutral alpha-particles at zero-temperature,…
A role of different components in the wave function of the weakly bound light nuclei states was studied within the framework of the cluster model, taking into account of orbitals "polarization". It was shown that a limited number of…
The spin-wave theory and the coherent potential approximation are applied to a spin S Heisenberg antiferromagnet with nonmagnetic impurities on square lattice. The impurity effects are taken into account by substituting S(1-x) for S and…
We present numerical results obtained from Time-Dependent Density Functional calculations of the dynamics of liquid He-4 in different environments characterized by geometrical confinement. The time-dependent density profile and velocity…
Quantum dynamics of impurities in a bath of bosons is a long-standing problem of solid-state, plasma, and atomic physics. Recent experimental and theoretical investigations with ultracold atoms focused on this problem, studying atomic…
The diffusion Monte Carlo technique is used to calculate and analyze the excitation spectrum of $^3$He atoms bound to a cluster of $^4$He atoms, by using a previously determined optimum filling of single-fermion orbits with well defined…
Dilute multi $\alpha$ cluster condensed states with spherical and axially deformed shapes are studied with the Gross-Pitaevskii equation and Hill-Wheeler equation, where the $\alpha$ cluster is treated as a structureless boson. Applications…
Asymmetric nuclear matter is investigated in the low density region below the nuclear saturation density. Microscopic calculations based on the Dirac Brueckner Hartree-Fock (DBHF) approach with realistic nucleon-nucleon potentials are used…
The possible occurrence of bound states of He-3 atoms in the vicinity of a weakly attractive substrate coated with a thin superfluid He-4film is investigated by first principle computer simulations. No evidence is seen of such bound states,…
Small weakly-bound droplets determine a number of properties of ultracold Bose and Fermi gases. For example, Efimov trimers near the atom-atom-atom and atom-dimer thresholds lead to enhanced losses from bosonic clouds. Generalizations to…
We study small clusters of bosons, $A=2,3,4,5,6$, characterized by a resonant interaction. Firstly, we use a soft-gaussian interaction that reproduces the values of the dimer binding energy and the atom-atom scattering length obtained with…
Using first-principle simulations for the probability density of finding a 3He atom in the vicinity of the screw dislocation in solid 4He, we determine the binding energy to the dislocation nucleus E_B = 0.8 \pm 0.1 K and the density of…
The isothermal compressibility of a general crystal is analyzed within classical density functional theory. Our approach can be used for homogeneous and unstrained crystals containing an arbitrarily high density of local defects. We start…
Nuclear density functional theory is the prevalent theoretical framework for accurately describing nuclear properties at the scale of the entire chart of nuclides. Given an energy functional and a many-body scheme (e.g., single- or…