Fragmentation dynamics of ionized neon trimer inside helium nanodroplets: a theoretical study.
We report a theoretical study of the fragmentation dynamics of Ne(3) (+) inside helium nanodroplets, following vertical ionization of the neutral neon trimer. The motion of the neon atoms is treated classically, while transitions between the electronic states of the ionic cluster are treated quantum mechanically. A diatomics-in-molecules description of the potential energy surfaces is used, in a minimal basis set consisting of three effective p orbitals on each neon atom for the missing electron. The helium environment is modeled by a friction force acting on the neon atoms when their speed exceeds the Landau velocity. A reasonable range of values for the corresponding friction coefficient is obtained by comparison with existing experimental measurements.
Laboratoire de Physique Quantique, IRSAMC, UMR 5626, CNRS et Université P. Sabatier, 118 route de Narbonne, F-31062-Toulouse, France.
David
D
Bonhommeau
Alexandra
A
Viel
Nadine
N
Halberstadt