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Radial molecular property functions of CH in its ground electronic state

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F21%3A00544065" target="_blank" >RIV/61388963:_____/21:00544065 - isvavai.cz</a>

  • Alternative codes found

    RIV/00216208:11320/21:10436977

  • Result on the web

    <a href="https://doi.org/10.1016/j.jqsrt.2021.107809" target="_blank" >https://doi.org/10.1016/j.jqsrt.2021.107809</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1016/j.jqsrt.2021.107809" target="_blank" >10.1016/j.jqsrt.2021.107809</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    Radial molecular property functions of CH in its ground electronic state

  • Original language description

    Effective potential energy curves of the ground electronic states of isotopomers of the methylidyne radical CH are constructed by morphing accurate ab initio potential energy curves within the framework of Jenč’s reduced potential energy curve (RPC) approach. The morphing is performed by fitting the RPC parameters to available experimental ro-vibrational data. In turn, the resulting potential energy curves are used to determine the radial property functions describing the spin-orbit and fine and hyperfine energy patterns of the spin-ro-vibrational energy levels by morphing their ab initio approximants or by a direct fitting to experiment. The resulting functions enable reliable predicting outside prospected energy regions, and a quantitative probing of the impacts of external perturbations on the observed spectra.

  • Czech name

  • Czech description

Classification

  • Type

    J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database

  • CEP classification

  • OECD FORD branch

    10403 - Physical chemistry

Result continuities

  • Project

    <a href="/en/project/GA18-00918S" target="_blank" >GA18-00918S: Quantum Dynamics of Astrophysically Important Molecules</a><br>

  • Continuities

    I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Others

  • Publication year

    2021

  • Confidentiality

    S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Data specific for result type

  • Name of the periodical

    Journal of Quantitative Spectroscopy and Radiative Transfer

  • ISSN

    0022-4073

  • e-ISSN

    1879-1352

  • Volume of the periodical

    272

  • Issue of the periodical within the volume

    Sep

  • Country of publishing house

    GB - UNITED KINGDOM

  • Number of pages

    6

  • Pages from-to

    107809

  • UT code for WoS article

    000683549400002

  • EID of the result in the Scopus database

    2-s2.0-85109428397