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An accurate potential model for the a3Σu+ state of the alkali dimers Na2, K2, Rb2, and Cs2.

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Lau,  Jascha Alexander
Emeritus Group Molecular Interactions, Max Planck Institute for Dynamics and Self-Organization, Max Planck Society;

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Toennies,  Jan Peter
Emeritus Group Molecular Interactions, Max Planck Institute for Dynamics and Self-Organization, Max Planck Society;

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Citation

Lau, J. A., Toennies, J. P., & Tang, K. T. (2016). An accurate potential model for the a3Σu+ state of the alkali dimers Na2, K2, Rb2, and Cs2. The Journal of Chemical Physics, 145(19): 194308. doi:10.1063/1.4967333.


Cite as: http://hdl.handle.net/11858/00-001M-0000-002C-25DB-5
Abstract
A modified semi-empirical Tang-Toennies potential model is used to describe the a 3Σ+u potentials of the alkali dimers. These potentials are currently of interest in connection with the laser manipulation of the ultracold alkali gases. The fully analytical model is based on three experimental parameters, the well depth De, well location Re, and the harmonic vibrational frequency ωe of which the latter is only slightly optimized within the range of the literature values. Comparison with the latest spectroscopic data shows good agreement for Na2, K2, Rb2, and Cs2, comparable to that found with published potential models with up to 55 parameters. The differences between the reduced potential of Li2 and the conformal reduced potentials of the heavier dimers are analyzed together with why the model describes Li2 less accurately. The new model potential provides a test of the principle of corresponding states and an excellent first order approximation for further optimization to improve the fits to the spectroscopic data and describe the scattering lengths and Feshbach resonances at ultra-low temperatures.