Quantum structuring of4He atoms around ionic dopants: Energetics of Li+, Na+ and K+ from stochastic calculations

E. Coccia, E. Bodo, F. Marinetti, F. A. Gianturco, E. Yurtsever, M. Yurtsever, E. Yildirim

Research output: Chapter in Book/Report/Conference proceedingChapterpeer-review

3 Citations (Scopus)

Abstract

Quantum variational and diffusion Monte Carlo (VMC, DMC) calcula¬tions are carried out using accurate, ab initio interaction potentials for alkali metal ions doping small4He clusters. The results for Li+, Na+ and K+ with clusters up to n = 16 reveal an interesting interplay between ionic forces and He–He interactions when driving the spatial delocal¬ization of the solvating helium adatoms which form the initial snowball structures within the larger droplets.

Original languageEnglish
Title of host publicationLatest Advances in Atomic Cluster Collisions
Subtitle of host publicationStructure and Dynamics from the Nuclear to the Biological Scale
PublisherImperial College Press
Pages227-240
Number of pages14
ISBN (Electronic)9781848162389
ISBN (Print)9781848162372
DOIs
Publication statusPublished - 1 Jan 2008

Bibliographical note

Publisher Copyright:
© 2008 by Imperial College Press. All rights reserved.

Keywords

  • He droplets
  • Ionic dopants
  • Monte Carlo calculations

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