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

doi:10.1142/9781848162389_0018

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

Department of Chemistry

Research output: Chapter in Book/Report/Conference proceeding › Chapter › peer-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 language	English
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	https://doi.org/10.1142/9781848162389_0018
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

Access to Document

10.1142/9781848162389_0018

Cite this

Coccia, E., Bodo, E., Marinetti, F., Gianturco, F. A., Yurtsever, E., Yurtsever, M., & Yildirim, E. (2008). Quantum structuring of⁴He atoms around ionic dopants: Energetics of Li⁺, Na⁺ and K⁺ from stochastic calculations. In Latest Advances in Atomic Cluster Collisions: Structure and Dynamics from the Nuclear to the Biological Scale (pp. 227-240). Imperial College Press. https://doi.org/10.1142/9781848162389_0018

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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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Coccia, E, Bodo, E, Marinetti, F, Gianturco, FA, Yurtsever, E, Yurtsever, M & Yildirim, E 2008, Quantum structuring of⁴He atoms around ionic dopants: Energetics of Li⁺, Na⁺ and K⁺ from stochastic calculations. in Latest Advances in Atomic Cluster Collisions: Structure and Dynamics from the Nuclear to the Biological Scale. Imperial College Press, pp. 227-240. https://doi.org/10.1142/9781848162389_0018

Quantum structuring of⁴He atoms around ionic dopants: Energetics of Li⁺, Na⁺ and K⁺ from stochastic calculations. / Coccia, E.; Bodo, E.; Marinetti, F. et al.
Latest Advances in Atomic Cluster Collisions: Structure and Dynamics from the Nuclear to the Biological Scale. Imperial College Press, 2008. p. 227-240.

Research output: Chapter in Book/Report/Conference proceeding › Chapter › peer-review

TY - CHAP

T1 - Quantum structuring of4He atoms around ionic dopants

T2 - Energetics of Li+, Na+ and K+ from stochastic calculations

AU - Coccia, E.

AU - Bodo, E.

AU - Marinetti, F.

AU - Gianturco, F. A.

AU - Yurtsever, E.

AU - Yurtsever, M.

AU - Yildirim, E.

PY - 2008/1/1

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N2 - 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.

AB - 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.

KW - He droplets

KW - Ionic dopants

KW - Monte Carlo calculations

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AN - SCOPUS:84967692963

SN - 9781848162372

SP - 227

EP - 240

BT - Latest Advances in Atomic Cluster Collisions

PB - Imperial College Press

ER -

Coccia E, Bodo E, Marinetti F, Gianturco FA, Yurtsever E, Yurtsever M et al. Quantum structuring of⁴He atoms around ionic dopants: Energetics of Li⁺, Na⁺ and K⁺ from stochastic calculations. In Latest Advances in Atomic Cluster Collisions: Structure and Dynamics from the Nuclear to the Biological Scale. Imperial College Press. 2008. p. 227-240 doi: 10.1142/9781848162389_0018