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Updated: Jul 15, 2026

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
Published on: April 8, 2020
Ground-state path integral Monte Carlo simulations of positive ions in (4)He clusters: bubbles or snowballs?
Stefano Paolini1, Francesco Ancilotto, Flavio Toigo
1Dipartimento di Fisica G. Galilei, Universita di Padova, via Marzolo 8, I-35131 Padova, Italy. stefano.paolini@pd.infn.it
Abstract:
The local order around alkali (Li(+) and Na(+)) and alkaline-earth (Be(+), Mg(+), and Ca(+)) ions in (4)He clusters has been studied using ground-state path integral Monte Carlo calculations. The authors apply a criterion based on multipole dynamical correlations to discriminate between solidlike and liquidlike behaviors of the (4)He shells coating the ions. As it was earlier suggested by experimental measurements in bulk (4)He, their findings indicate that Be(+) produces a solidlike ("snowball") structure, similar to alkali ions and in contrast to the more liquidlike (4)He structure embedding heavier alkaline-earth ions.
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