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 language | English |
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Title of host publication | Latest Advances in Atomic Cluster Collisions |
Subtitle of host publication | Structure and Dynamics from the Nuclear to the Biological Scale |
Publisher | Imperial College Press |
Pages | 227-240 |
Number of pages | 14 |
ISBN (Electronic) | 9781848162389 |
ISBN (Print) | 9781848162372 |
DOIs | |
Publication status | Published - 1 Jan 2008 |
Bibliographical note
Publisher Copyright:© 2008 by Imperial College Press. All rights reserved.
Keywords
- He droplets
- Ionic dopants
- Monte Carlo calculations