Publication: Quantum structuring of 4He atoms around ionic dopants: energetics of LI+, NA+ and K+ from stochastic calculations
Program
KU-Authors
KU Authors
Co-Authors
Coccia, Emanuele
Bodo, Enrico
Marinetti, Fabio
Gianturco, Francesco A.
Yurtsever, Mine
Yıldırım, Erol
Publication Date
Language
Type
Embargo Status
Journal Title
Journal ISSN
Volume Title
Alternative Title
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.
Source
Publisher
Imperial College Press
Subject
Chemistry
Citation
Has Part
Source
Latest Advances in Atomic Cluster Collisions: Structure and Dynamics from the Nuclear to the Biological Scale
Book Series Title
Edition
DOI
10.1142/9781848162389_0018