Atomic and Molecular Impurities in $^4$He Clusters

TL;DR

This study uses density functional theory to predict how various atomic and molecular impurities bind within $^4$He clusters, analyzing size dependence and density behavior at zero temperature.

Contribution

It provides new predictions on impurity binding energies and density profiles in $^4$He clusters across different sizes, extending understanding to the bulk limit.

Findings

Binding energies vary with cluster size.

Density near impurities shows specific behaviors.

Impurities have distinct effects depending on their type.

Abstract

A density functional theory is used to predict the binding energy of atomic and molecular impurities (Ne, Ar, Kr, Xe, Li, Na, K, Rb, Cs, and SF$_6$) in the center of $^4$He clusters, in the limit of zero temperature and for zero angular momentum states. The size dependence of the binding energy, from small clusters to the bulk liquid limit, is investigated. The behaviour of the $^4$He density near the impurity is also studied.