Ionic interactions and collision dynamics in cold traps: rotational quenching of OH<Superscript>−</Superscript>(<Superscript>1</Superscript>Σ<Superscript>+</Superscript>) by Rb(<Superscript>2</Superscript>S)

A newly computed potential energy surface, which describes the forces at play between the OH⁻ (X ¹Σ⁺) anionic molecule (treated as a rigid rotor at its equilibrium geometry) and the Rb(²S) atomic gas was obtained from fully ab initio methods, yielding highly correlated electronic wavefunctions for the interacting partners. It is in turn employed to calculate their rotationally quenching collision cross sections at ultralow energies and for different initial rotational states of the molecular anion. The results suggest that these strongly interacting partners are among the most efficient systems in providing very large internal de-excitation rates whenever the collision regime of an ultracold trap can occur for the partners. The collision encounters at such vanishing values of translational energies are seen to be strongly controlled by the behaviour of the real part of the scattering length as a function of the initial rotational state: the latter indicates, in fact, the presence of several virtual states close to the dissociation threshold of the complex.     

Quenching efficiency of “hot" polar molecules by He buffer gas at ultralow energies: quantum results for MgH and LiH rotations

Rotationally superelastic collisions are computed from quantum dynamical calculations for the two title systems, down to the very low collision energies of interest in cold trap experiments. The results are obtained via ab initio interaction potentials, the one for the MgH-He system being given here for the first time and discussed in details in the present paper. The calculations show marked differences in behaviour for both cooling efficiency rates at vanishing temperatures and individual cross sections between levels, and their origin is related to target structural properties and with specific features of the two potentials.