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Poster communications

Quantum Monte Carlo study of Rb∗, Rb2 and other alkali in helium clusters

Abstract : Spectroscopy of doped helium nanodroplets has become, in recent years, a popular tool for the study of bothfinite size samples of the helium quantum fluid and molecules isolated in this sub Kelvin environment. Whilemany dopants migrate to the center of the droplet, alkali (Ak) atoms in their ground electronic state, becauseof their so weak interaction with He, remain at the surface, the latter being in this way slightly distortedexhibiting a dimple. However, when in their first excited states, Ak atoms are forming exciplexes. These areanisotropic with the central atom surrounded by a ring of He atoms located in the nodal plane of the valenceelectron pz orbital. Structural properties, obtained by DMC and PIMC, are presented here for some Ak -Hen exciplexes.Ak2 dimers in helium environment have also gained interest in this last decade, in connexion with the generationof ultracold molecules. When attached to helium droplets, Ak atoms can float on the surface andform molecules in cold collisions. DMC and PIMC methods are used to compute energetics and structuralinformations for Rb2 in helium. In particular, the orientation of the dimer relative to the droplet surface isexamined.
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Contributor : Laurent Jonchère <>
Submitted on : Tuesday, November 18, 2014 - 4:55:15 PM
Last modification on : Sunday, April 26, 2020 - 1:34:02 PM

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  • HAL Id : hal-01084198, version 1

Citation

Gregoire Guillon, Alexandra Viel, Markku Leino, Alexandre Zanchet, Robert E Zillich. Quantum Monte Carlo study of Rb∗, Rb2 and other alkali in helium clusters. QFS2010 : International Symposium on Quantum Fluids and Solids, Jul 2010, Grenoble, France. 2010. ⟨hal-01084198⟩

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