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Radial molecular property functions of the Asup2/supΣsup+/sup state of hydroxyl

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    0541411 - ÚOCHB 2022 RIV GB eng J - Journal Article
    Augustovičová, L. D. - Špirko, Vladimír
    Radial molecular property functions of the Asup2/supΣsup+/sup state of hydroxyl.
    Journal of Quantitative Spectroscopy and Radiative Transfer. Roč. 266, May (2021), č. článku 107530. ISSN 0022-4073. E-ISSN 1879-1352
    Institutional support: RVO:61388963
    Keywords : hydroxyl radical * potential energy function * reduced potential * fine and hyperfine structure functions * mass sensitivity of spectral transitions
    OBOR OECD: Physical chemistry
    Impact factor: 2.468, year: 2020

    Effective (mass-dependent) potential energy curves of the A2Σ+ electronic states of the 16OH and 16OD isotopomers of the hydroxyl radical OH are constructed by morphing reliable ab initio potential energy curves within the framework of the Jenč reduced potential energy curve (RPC) approach. In turn, the resulting potential energy curves are used to determine the radial functions describing the spin-rotation and hyperfine energy patterns of the spin-rovibrational energy levels by morphing/fitting their ab initio/empirical approximants. The resulting functions allow for reliable predictions for untested spectral regions, provide a base for testing the impacts of external fields on the measured spectral transitions, and allow for accurate estimations of the mass sensitivity of the hydroxyl spectral transitions appearing as suitable probes of a cosmological variability of the electron-to-proton mass ratio.
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