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The European Physical Journal D

, Volume 54, Issue 1, pp 31–41 | Cite as

Exchanging the ionic partner in a linear Paul trap: the MgH+(X1Σ+) ion with neutral Rb(2S)

  • M. TacconiEmail author
  • F. A. Gianturco
Atomic and Molecular Collisions

Abstract

In the present computational study we discuss the behavior of the MgH+(X1Σ+) molecular ion interacting with Rb(2S) and argue that it constitutes an amenable system for ultracold chemistry studies in a Coulomb crystal environment. In particular, we find from our calculations that there is a number of different ways in which this system can chemically evolve and we present results from a diabatic representation of the potential energy surfaces (PESs) of the electronic states which are relevant for the realistic description of an experimental setup in which a cloud of ultracold laser-cooled Rb atoms is superimposed onto a Coulomb crystal arrangement of MgH+ molecular ions. Our findings suggest the most likely pathways for either the formation of a new Coulomb crystal of Rb ions or the combination of cold Mg+, MgH+ and Rb+ mixtures within the trap under consideration.

PACS

31.50.Df Potential energy surfaces for excited electronic states 31.50.Gh Surface crossings, non-adiabatic couplings 34.70.+e Charge transfer 

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Copyright information

© EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg 2009

Authors and Affiliations

  1. 1.Department of ChemistryUniversity of Rome La Sapienza, Città UniversitariaRomeItaly

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