Ultracold XY+ ions of alkali-alkali earth dimers (X=Li, Na; Y=Be, Mg) show promise for use in ultracold chemistry and quantum computing. The potential energy and dipole moment curves for the ground electronic states of XY+ ions were calculated using the coupled cluster with singles, doubles and iterative triples (CCSDT) method and quadruple-zeta basis set augmented with core functions. To obtain energies and wave functions for the vibrational states, the Schrödinger equation for nuclei was solved numerically with B-spline method. Finally, the transition dipole moments between vibrational states, the Einstein coefficients, and the lifetimes of the vibrational states were calculated. The contributions from spontaneous emission, stimulated emission and absorption induced by black body radiation to the decay rate of vibrational states were analyzed. We compare the lifetimes of vibrational states of the XY+ ions with our earlier results for neutral heteronuclear alkali-alkali dimers [J. Chem. Phys. 140, 184315 (2014)]. The lifetime of the ground vibrational states of XY+ ions ranges from 3 to 15 s, which is considerably lower than the lifetime of these states in neutral molecules (103 s).

Lifetimes of vibrational states of XY ions (X=Li, Na; Y=Be, Mg) calculated using the CCSDT potential energy and dipole moment curves

249th National Meeting (2015)

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