Related papers: Atomic and Molecular Impurities in $^4$He Clusters
It was shown that light nuclei such as $^4$He, $^8$Be, and $^{12}$C can be well described by RMF models, which enables a unified description for nuclei with baryon numbers $A\gtrsim4$. In this work, we propose a hybrid treatment for…
The thermochemistry of the carbon clusters C$_n$ (n=2--10) has been revisited by means of W4 theory and W3.2lite theory. Particularly the larger clusters exhibit very pronounced post-CCSD(T) correlation effects. Despite this, our best…
Using a density functional method, we investigate the properties of liquid 4He droplets doped with atoms (Ne and Xe) and molecules (SF_6 and HCN). We consider the case of droplets having a quantized vortex pinned to the dopant. A liquid…
Intramolecular electron transfer capability of all metal aromatic and anti-aromatic aluminum cluster compounds is studied in terms of density functional theory based global and local reactivity descriptors. This study will provide important…
The first--principles density functional molecular dynamics simulations have been carried out to investigate the geometric, the electronic, and the finite temperature properties of pure Li clusters (Li$_{10}$, Li$_{12}$) and Al--doped Li…
The adsorption of $^4$He inside and outside a single fullerene C$_{60}$ is studied. A physisorption potential is proposed. The energetics and structural features of C$_{60}$-$^4$He$_N$ clusters are investigated. Particular attention is paid…
Reactivity of Aluminum Clusters has been found to exhibit size sensitive variations. This work is motivated by a recent report1 predicting higher reactivity of melted Aluminum clusters towards the N2 molecule as compared to the non-melted…
We use coupled-cluster quantum chemical methods to calculate the energetics of molecular clusters cut out of periodic molecular hydrogen structures that model observed phases of solid hydrogen. The hydrogen structures are obtained from…
We study the structure and energetics of Au$_N$ clusters by means of parameter-free density-functional calculations ($N\le 8$), jellium calculations ($N\le 60$), embedded-atom calculations ($N\le 150$), and parameterized density-functional…
Within Density Functional theory, we investigate stationary many-vortex structures in a rotating $^4$He nanocylinder at zero temperature. We compute the stability diagram and compare our results with the classical model of vortical lines in…
The abundances of light clusters within a formalism that considers in-medium effects are calculated using several relativistic mean-field models, with both density-dependent and density-independent couplings. Clusters are introduced as new…
We present static and dynamical properties of linear vortices in 4He droplets obtained from Density Functional calculations. By comparing the adsorption properties of different atomic impurities embedded in pure droplets and in droplets…
Light clusters (mass number $A \leq 4$) in nuclear matter at subsaturation densities are described using a quantum statistical approach. In addition to self-energy and Pauli-blocking, effects of continuum correlations are taken into account…
We have used density functional perturbation theory to investigate the stiffness of interatomic bonds in small clusters of Si, Sn and Pb. As the number of atoms in a cluster is decreased, there is a marked shortening and stiffening of…
Recent studies of clustering in light nuclei with an initial energy above 1 A GeV in nuclear treack emulsion are overviewed. The results of investigations of the relativistic $^9$Be nuclei fragmentation in emulsion, which entails the…
Clustering in low density nuclear matter has been investigated using the NIMROD multi-detector at Texas A&M University. Thermal coalescence modes were employed to extract densities, $\rho$, and temperatures, $T$, for evolving systems formed…
In metallic nanoparticles, the cluster geometric structures control the particle's electronic band structure, polarizability, and catalytic properties. Analyzing the structural properties is a complex problem; the structure of an assembled…
Our experiments show that in $^4$He crystals, the binding of $^3$He impurities to dislocations does not necessarily imply their pinning. Indeed, in these crystals, there are two different regimes of the motion of dislocations when…
The production of energy through nuclear fusion poses serious challenges related to the stability and performance of materials in extreme conditions. In particular, the constant bombardment of the walls of the reactor with high doses of He…
A frozen, solid helium core, dubbed snowball, is typically observed around cations in liquid helium. Here we discover, using path integral simulations, that around a cationic molecular impurity, protonated methane, the $^4$He atoms are…