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arXiv · 1709.06152

Genetic fitting techniques for precision ultracold spectroscopy

Ian Stevenson·Jesús Pérez-Ríos
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Abstract

We present development of a genetic algorithm for fitting potential energy curves of diatomic molecules to experimental data. Our approach does not involve any functional form for fitting, which makes it a general fitting procedure. In particular, it takes in a guess potential, perhaps from an $ab \ initio$ calculation, along with experimental measurements of vibrational binding energies, rotational constants, and their experimental uncertainties. The fitting procedure is able to modify the guess potential until it converges to better than 1% uncertainty, as measured by $\bar{\chi}^2$. We present the details of this technique along with a comparison of potentials calculated by our genetic algorithm and the state of the art fitting techniques based on inverted perturbation approach for the $X \ ^1\Sigma^+$ and $C \ ^1\Sigma^+$ potentials of lithium-rubidium.

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Ian Stevenson, Jesús Pérez-Ríos. 2017-09-18. Genetic fitting techniques for precision ultracold spectroscopy. https://arxiv.org/abs/1709.06152

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