Bosonic Helium droplets with cationic impurities: onset of electrostriction and snowball effects from quantum calculations
Abstract
Variational 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.
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Cite
@article{arxiv.physics/0702169,
title = {Bosonic Helium droplets with cationic impurities: onset of electrostriction and snowball effects from quantum calculations},
author = {E. Coccia and E. Bodo and F. Marinetti and F. A. Gianturco and E. Yildrim and M. Yurtsever and E. Yurtsever},
journal= {arXiv preprint arXiv:physics/0702169},
year = {2007}
}