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The European Physical Journal D

, Volume 43, Issue 1–3, pp 105–108 | Cite as

Solvation of K+ in helium droplets

  • E. YurtseverEmail author
  • E. Yildirim
  • M. Yurtsever
  • E. Bodo
  • F. A. Gianturco
Helium Clusters and Spectroscopy

Abstract.

Solvation of K+ in helium droplets is studied by classical simulation methods. We have previously shown that additive potentials can be used to describe structures of helium droplets when an ionic species is present. Here, we present an accurate ab-initio potential for the K+ – He interaction. Global minima of KHen + for up to n=70 are searched for employing Basin Hopping Monte Carlo simulations with a random growth scheme. The extent of the solvation is analyzed. A clear formation of two shells with 15 and 23 atoms is detected.

PACS.

34.20.Cf Interatomic potentials and forces 36.20.Ey Configuration (statistics and dynamics) 

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Copyright information

© EDP Sciences/Società Italiana di Fisica/Springer-Verlag 2007

Authors and Affiliations

  • E. Yurtsever
    • 1
    Email author
  • E. Yildirim
    • 2
  • M. Yurtsever
    • 2
  • E. Bodo
    • 3
  • F. A. Gianturco
    • 3
  1. 1.Chem. Dep., Koç Uni. IstanbulIstanbulTurkey
  2. 2.Chem. Dep., Istanbul Tech. Uni.IstanbulTurkey
  3. 3.Chem. Dep., University of Rome “La Sapienza”RomeItaly

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