dorsal/arxiv
View SchemaBosonic Helium droplets with cationic impurities: onset of electrostriction and snowball effects from quantum calculations
| Authors | E. Coccia, E. Bodo, F. Marinetti, F. A. Gianturco, E. Yildrim, M. Yurtsever, E. Yurtsever |
|---|---|
| Categories | |
| ArXiv ID | physics/0702169 |
| URL | https://arxiv.org/abs/physics/0702169 |
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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"abstract": "Variational MonteCarlo and Diffusion MonteCarlo calculations have been\ncarried out for cations like Li$^+$, Na$^+$ and K$^+$ as dopants of small\nhelium clusters over a range of cluster sizes up to about 12 solvent atoms. The\ninteraction has been modelled through a sum-of-potential picture that\ndisregards higher order effects beyond atom-atom and atom-ion contributions.\nThe latter were obtained from highly correlated ab-initio calculations over a\nbroad range of interatomic distances.\n This study focuses on two of the most striking features of the microsolvation\nin a quantum solvent of a cationic dopant: electrostriction and snowball\neffects. They are here discussed in detail and in relation with the nanoscopic\nproperties of the interaction forces at play within a fully quantum picture of\nthe clusters features.",
"arxiv_id": "physics/0702169",
"authors": [
"E. Coccia",
"E. Bodo",
"F. Marinetti",
"F. A. Gianturco",
"E. Yildrim",
"M. Yurtsever",
"E. Yurtsever"
],
"categories": [
"physics.chem-ph"
],
"title": "Bosonic Helium droplets with cationic impurities: onset of electrostriction and snowball effects from quantum calculations",
"url": "https://arxiv.org/abs/physics/0702169"
},
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