Ground-state path integral Monte Carlo simulations of positive ions in 4He clusters: bubbles or snowballs?
Abstract
The local order around alkali (Li+ and Na+) and alkaline-eath (Be+, Mg+ and Ca+) ions in 4He clusters has been studied using ground-state path integral Monte Carlo calculations. We apply a criterion based on multipole dynamical correlations to discriminate between solid-like versus liquid-like behavior of the 4He shells coating the ions. As it was earlier suggested by experimental measurements in bulk 4He, our findings indicate that Be+ produces a solid-like ("snowball") structure, similarly to alkali ions and in contrast to the more liquid-like 4He structure embedding heavier alkaline-earth ions.
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