Bosonic Helium droplets with cationic impurities: onset of electrostriction and snowball effects from quantum calculations

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dc.creatorCoccia, E.
dc.creatorBodo, E.
dc.creatorMarinetti, F.
dc.creatorGianturco, F. A.
dc.creatorYildrim, E.
dc.creatorYurtsever, M.
dc.creatorYurtsever, E.
dc.date2007-02-20
dc.date.accessioned2026-07-07T07:47:52Z
dc.date.available2026-07-07T07:47:52Z
dc.descriptionVariational MonteCarlo and Diffusion MonteCarlo calculations have been carried out for cations like Li$^+$, Na$^+$ and K$^+$ as dopants of small helium clusters over a range of cluster sizes up to about 12 solvent atoms. The interaction has been modelled through a sum-of-potential picture that disregards higher order effects beyond atom-atom and atom-ion contributions. The latter were obtained from highly correlated ab-initio calculations over a broad range of interatomic distances. This study focuses on two of the most striking features of the microsolvation in a quantum solvent of a cationic dopant: electrostriction and snowball effects. They are here discussed in detail and in relation with the nanoscopic properties of the interaction forces at play within a fully quantum picture of the clusters features.
dc.identifierhttps://arxiv.org/abs/physics/0702169
dc.identifierhttp://arxiv.org/abs/physics/0702169
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/124308
dc.subjectChemical Physics
dc.titleBosonic Helium droplets with cationic impurities: onset of electrostriction and snowball effects from quantum calculations
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