Publication: Solvation of K+ in helium droplets
Program
KU-Authors
KU Authors
Co-Authors
Yıldırım, Erol
Yurtsever, Mine
Bodo, Enrico
Gianturco, Franco A.
Publication Date
Language
Embargo Status
Journal Title
Journal ISSN
Volume Title
Alternative Title
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.
Source
Publisher
Springer
Subject
Optics, Physics, Atom, Atomic structure, Molecules, Molecular dynamics, Chemistry
Citation
Has Part
Source
European Physical Journal D
Book Series Title
Edition
DOI
10.1140/epjd/e2007-00068-x