Solvation of K+ in helium droplets

Date

2007-5-24

Author

Yurtsever, E.
Yıldırım, Erol
Yurtsever, M.
Bodo, E.
Gianturco, F. A.

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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.

Subject Keywords

HE, Clusters, Atoms, Ion, Microsolvation, Potentials, Molecules, Energy, LI+

URI

https://hdl.handle.net/11511/28450

Journal

The European Physical Journal D

DOI

https://doi.org/10.1140/epjd/e2007-00068-x

Collections

Department of Chemistry, Article

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Citation Formats

E. Yurtsever, E. Yıldırım, M. Yurtsever, E. Bodo, and F. A. Gianturco, “Solvation of K+ in helium droplets,” The European Physical Journal D, pp. 105–108, 2007, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/28450.