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

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    SYSNO ASEP0541411
    Document TypeJ - Journal Article
    R&D Document TypeJournal Article
    Subsidiary JČlánek ve WOS
    TitleRadial molecular property functions of the Asup2/supΣsup+/sup state of hydroxyl
    Author(s) Augustovičová, L. D. (CZ)
    Špirko, Vladimír (UOCHB-X) ORCID
    Article number107530
    Source TitleJournal of Quantitative Spectroscopy and Radiative Transfer. - : Elsevier - ISSN 0022-4073
    Roč. 266, May (2021)
    Number of pages7 s.
    Languageeng - English
    CountryGB - United Kingdom
    Keywordshydroxyl radical ; potential energy function ; reduced potential ; fine and hyperfine structure functions ; mass sensitivity of spectral transitions
    OBOR OECDPhysical chemistry
    Způsob publikováníOmezený přístup
    Institutional supportUOCHB-X - RVO:61388963
    UT WOS000642460800018
    EID SCOPUS85102137749
    DOI10.1016/j.jqsrt.2021.107530
    AnnotationEffective (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.
    WorkplaceInstitute of Organic Chemistry and Biochemistry
    ContactMarie Odehnalová,marie.odehnalova@uochb.cas.cz Tel.: 220 183 418 ; Viktorie Chládková, viktorie.chladkova@uochb.cas.cz, Tel.: 232 002 434
    Year of Publishing2022
    Electronic addresshttps://doi.org/10.1016/j.jqsrt.2021.107530
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