Publication: Quantum structuring of 4He atoms around ionic dopants: energetics of LI+, NA+ and K+ from stochastic calculations
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Coccia, Emanuele
Bodo, Enrico
Marinetti, Fabio
Gianturco, Francesco A.
Yurtsever, Mine
Yıldırım, Erol
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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.
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Imperial College Press
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Latest Advances in Atomic Cluster Collisions: Structure and Dynamics from the Nuclear to the Biological Scale
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10.1142/9781848162389_0018
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