Deep neural network for fitting analytical potential energy curve of diatomic molecules from ro-vibrational spectra

نویسندگان

چکیده

We present a new approach which employs deep neural network to obtain parameters of analytical representation potential energy curve diatomic molecule. test the find spectroscopic characteristics for ground X2Σ+ electronic state MgF molecule based on experimental energies ro-vibrational transitions. The result shows that can be applied in characterisation interatomic Our is competitive with those obtained using other methods tested, i.e. shallow and so-called brute force method.

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ژورنال

عنوان ژورنال: Molecular Simulation

سال: 2021

ISSN: ['0892-7022', '1026-7638', '1029-0435']

DOI: https://doi.org/10.1080/08927022.2021.1898606