Eur. Phys. J. D 43, 105-108 (2007)
https://doi.org/10.1140/epjd/e2007-00068-x

Solvation of K⁺ in helium droplets

¹ Chem. Dep., Koç Uni. Istanbul, Istanbul, 34450, Turkey
² Chem. Dep., Istanbul Tech. Uni., Istanbul, 34469, Turkey
³ Chem. Dep., University of Rome “La Sapienza”, Rome, 00185, Italy

Corresponding author: ^a eyurtsev@ku.edu.tr

Received: 24 July 2006
Revised: 19 September 2006
Published online: 24 May 2007

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 KHe_n⁺ 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.