The ground state of the polar alkali-Strontium molecules: potential energy curve and permanent dipole moment

Details The ground state of the polar alkali-Strontium molecules: potential energy curve and permanent dipole moment The ground state of the polar alkali-Strontium molecules: potential energy curve and permanent dipole moment

2010-07-12

arxiv.org/abs/1007.1892v1

Physics

Atomic and Molecular Clusters

Scientific paper

In this study, we investigate the structure of the polar alkali-Strontium diatomic molecules as possible candidates for the realization of samples of new species of ultracold polar molecules. Using a quantum chemistry approach based on Effective Core Potentials and Core Polarization Potentials, we model these systems as effective three valence electron systems, allowing for calculation of electronic properties with Full Configuration Interaction. The potential curve and the permanent dipole moment of the $^2\Sigma^+$ ground state are determined as functions of the internuclear distances for LiSr, NaSr, KSr, RbSr, and CsSr molecules. These molecules are found to exhibit a significant permanent dipole moment, though smaller than those of the alkali-Rb molecules.

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