Spectroscopic properties of the molecular ions BeX^+ (X=Na, K, Rb): Forming cold molecular ions from an ion-atom mixture by stimulated Raman adiabatic process

TL;DR

This theoretical study calculates spectroscopic properties of BeX^+ molecular ions and explores their formation from ion-atom collisions using stimulated Raman adiabatic processes, relevant for cold ion-atom experiments.

Contribution

It provides detailed potential energy curves and transition data for BeX^+ ions and demonstrates the feasibility of forming these ions via stimulated Raman processes.

Findings

Potential energy curves and spectroscopic parameters calculated.

Feasibility of molecular ion formation via stimulated Raman process shown.

Insights into cold ion-atom collision dynamics provided.

Abstract

In this theoretical work, we calculate potential energy curves, spectroscopic pa- rameters 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 stimu- lated 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.