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H. Berriche One-electron pseudopotential study of the alkali hydride cation NaH+: Structure, spectroscopy, transition dipole moments, and radiative lifetimes International Journal of Quantum Chemistry 113

Version of Record online: 29 MAR 2012 | DOI: 10.1002/qua.24083

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The interaction potentials for alkali hydride neutral species and their cations have important implications in ultracold collisions and the formation of ultracold molecules. Here, the structure and spectroscopic properties of low-lying electronic states of NaH+ are investigated using a one-electron pseudopotential ab initio approach. Calculations reveal the potential energy curves and the spectroscopic constants for 23 electronic states of 2Σ+, 2Π, and 2Δ symmetries and evaluate, for the first time, the radiative lifetimes for the vibrational levels of the 22Σ+.

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