Solvation of K+ in helium droplets


Yurtsever E., YILDIRIM E., Yurtsever M. , BODO E., GIANTURCO F. A.

EUROPEAN PHYSICAL JOURNAL D, cilt.43, ss.105-108, 2007 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 43
  • Basım Tarihi: 2007
  • Doi Numarası: 10.1140/epjd/e2007-00068-x
  • Dergi Adı: EUROPEAN PHYSICAL JOURNAL D
  • Sayfa Sayıları: ss.105-108

Özet

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.