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    Sympathetic cooling of NH(X-3 Sigma(-)) molecules by Rb and Cs atoms at ultralow energies

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    The relative size of the elastic cross sections between NH molecules colliding with Cs and Rb atoms on the lowest potential energy surfaces of spin-stretched quartet symmetry are computed using the full quantum treatment and taking the target molecule to be in its ground rotational state. Results are compared between the two systems under similar dynamics and the Rb atom is found to yield larger cross sections at ultralow energies. The process is seen to be dominated by dispersion interaction and an analysis of the effects on the cross sections induced by changes on the C-6 coefficients is carried out in detail for both systems

    Molecular ions in ultracold atomic gases: computed electronic interactions for MgH+(X1Sigma+) with Rb

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    Abstract: The electronic structures of the manifold of potential energy surfaces generated in the lower energy range by the interaction of the MgH+(X-1 Sigma(+)) cationic molecule with Rb(S-2) neutral atom are obtained over a broad range of Jacobi coordinates from strongly correlated ab initio calculations which use a Multireference (MR) wavefunction within a Complete Active Space (CAS) approach. The relative features of the lowest five surfaces are analyzed in terms of possible collisional outcomes when employed to model the ultracold dynamics of ionic molecular partners

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

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    Abstract: In the present computational study we discuss the behavior of the MgH(+)(X(1)I (+)) pound molecular ion interacting with Rb((2)S) 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
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