1 research outputs found
Neutral and ionic dopants in helium clusters: interaction forces for the and
The potential energy surface (PES) describing the interactions between
and and an extensive
study of the energies and structures of a set of small clusters,
, have been presented by us in a previous series of
publications [1-3]. In the present work we want to extend the same analysis to
the case of the excited and of the
ionized Li moiety. We thus show here calculated
interaction potentials for the two title systems and the corresponding fitting
of the computed points. For both surfaces the MP4 method with cc-pV5Z basis
sets has been used to generate an extensive range of radial/angular coordinates
of the two dimensional PES's which describe rigid rotor molecular dopants
interacting with one He partner