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Global modelling of the observed line positions for the spectra of ultraviolet bands: Dunham coefficients for the A2Σ+ excited state of the 16OH molecule

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Figshare2023-06-15 更新2026-04-28 收录
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https://figshare.com/articles/dataset/Global_modelling_of_the_observed_line_positions_for_the_spectra_of_ultraviolet_bands_Dunham_coefficients_for_the_A_sup_2_sup_sup_sup_excited_state_of_the_sup_16_sup_OH_molecule/23522807
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A global treatment of the available experimental data on transition frequencies both in the A2Σ+state and in the A2Σ+−X2Π, and B2Σ+−A2Σ+ electronic systems of 16OH molecule was carried out. In this analysis, a global model with vibrational dependences of the parameters of the effective Hamiltonian for the diatomic molecule in different electronic state was used. As a result of the fit, a set of the ‘Dunham-type’ coefficients for A2Σ+ electronic state was obtained. They reproduce the experimental dataset within estimated experimental uncertainties. The determined ‘Dunham-type’ coefficients were employed to generate the potential energy curve in the A2Σ+ electronic state using the RKR method.
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2023-06-15
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