In this theoretical work, we calculate potential energy curves, spectroscopic parameters and transition dipole moments of molecular ions BeX + (X=Na, K, Rb) composed of alkaline ion Be and alkali atom X with a quantum chemistry approach based on the pseudopotential model, Gaussian basis sets, effective core polarization potentials, and full configuration interaction (CI). We study in detail collisions of the alkaline ion and alkali atom in quantum regime. Besides, we study the possibility of the formation of molecular ions from the ion-atom colliding systems by stimulated Raman adiabatic process and discuss the parameters regime under which the population transfer is feasible. Our results are important for ion-atom cold collisions and experimental realization of cold molecular ion formation.
More than 65 years ago, Jost and Kohn [R. Jost and W. Kohn, Phys. Rev. 87, 977 (1952)] derived an explicit expression for a class of short-range model potentials from a given effective range expansion with the s-wave scattering length as being negative. For as > 0, they calculated another class of short-range model potentials [R. Jost and W. Kohn, Dan. Mat. Fys. Medd 27, 1 (1953)] using a method based on an adaptation from Gelfand-Levitan theory [I. M. Gel'fand and B. M. Levitan, Dokl. Akad. Nauk. USSR 77, 557-560 (1951)] of inverse scattering. We here revisit the methods of Jost and Kohn in order to explore the possibility of modeling resonant finite-range interactions at low energy. We show that the Jost-Kohn potentials can account for zero-energy resonances. The s-wave phase shift for positive scattering length is expressed in an analytical form as a function of the binding energy of a bound state. We show that, for small binding energy, both the scattering length and the effective range are strongly influenced by the binding energy; and below a critical binding energy the effective range becomes negative provided the scattering length is large. As a consistency check, we carry out some simple calculations to show that Jost-Kohn potentials can reproduce the standard results of contact interaction in the limit of the effective range going to zero.
We show theoretically that it is possible to form a cold molecular ion from a pair of colliding atom and ion at low energy by photoassociative two-photon Raman processes. We explore the possibility of stimulated Raman adiabatic passage from the continuum of ion-atom scattering states to an ionic molecular state. We provide physical conditions under which coherent population transfer is possible in stimulated Raman photoassociation. Our results are important for experimental realization of PA in ion-atom cold collisions.
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