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Title: Ground-state path integral Monte Carlo simulations of positive ions in {sup 4}He clusters: Bubbles or snowballs?

Abstract

The local order around alkali (Li{sup +} and Na{sup +}) and alkaline-earth (Be{sup +}, Mg{sup +}, and Ca{sup +}) ions in {sup 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 {sup 4}He shells coating the ions. As it was earlier suggested by experimental measurements in bulk {sup 4}He, their findings indicate that Be{sup +} produces a solidlike ('snowball') structure, similar to alkali ions and in contrast to the more liquidlike {sup 4}He structure embedding heavier alkaline-earth ions.

Authors:
; ;  [1]
  1. Dipartimento di Fisica 'G. Galilei', Universita' di Padova, via Marzolo 8, I-35131 Padova, Italy and CNR-INFM-DEMOCRITOS National Simulation Center, Trieste (Italy)
Publication Date:
OSTI Identifier:
20991233
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 126; Journal Issue: 12; Other Information: DOI: 10.1063/1.2711813; (c) 2007 American Institute of Physics; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; BERYLLIUM IONS; BUBBLES; CALCIUM IONS; CATIONS; COMPUTERIZED SIMULATION; GROUND STATES; HELIUM 4; LIQUIDS; LITHIUM IONS; MAGNESIUM IONS; MONTE CARLO METHOD; PATH INTEGRALS; SODIUM IONS

Citation Formats

Paolini, Stefano, Ancilotto, Francesco, and Toigo, Flavio. Ground-state path integral Monte Carlo simulations of positive ions in {sup 4}He clusters: Bubbles or snowballs?. United States: N. p., 2007. Web. doi:10.1063/1.2711813.
Paolini, Stefano, Ancilotto, Francesco, & Toigo, Flavio. Ground-state path integral Monte Carlo simulations of positive ions in {sup 4}He clusters: Bubbles or snowballs?. United States. doi:10.1063/1.2711813.
Paolini, Stefano, Ancilotto, Francesco, and Toigo, Flavio. Wed . "Ground-state path integral Monte Carlo simulations of positive ions in {sup 4}He clusters: Bubbles or snowballs?". United States. doi:10.1063/1.2711813.
@article{osti_20991233,
title = {Ground-state path integral Monte Carlo simulations of positive ions in {sup 4}He clusters: Bubbles or snowballs?},
author = {Paolini, Stefano and Ancilotto, Francesco and Toigo, Flavio},
abstractNote = {The local order around alkali (Li{sup +} and Na{sup +}) and alkaline-earth (Be{sup +}, Mg{sup +}, and Ca{sup +}) ions in {sup 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 {sup 4}He shells coating the ions. As it was earlier suggested by experimental measurements in bulk {sup 4}He, their findings indicate that Be{sup +} produces a solidlike ('snowball') structure, similar to alkali ions and in contrast to the more liquidlike {sup 4}He structure embedding heavier alkaline-earth ions.},
doi = {10.1063/1.2711813},
journal = {Journal of Chemical Physics},
number = 12,
volume = 126,
place = {United States},
year = {Wed Mar 28 00:00:00 EDT 2007},
month = {Wed Mar 28 00:00:00 EDT 2007}
}