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Morphing ab initio potential energy curve of beryllium monohydride

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F16%3A00469765" target="_blank" >RIV/61388963:_____/16:00469765 - isvavai.cz</a>

  • Alternative codes found

    RIV/00216208:11320/16:10334291

  • Result on the web

    <a href="http://dx.doi.org/10.1016/j.jms.2016.08.009" target="_blank" >http://dx.doi.org/10.1016/j.jms.2016.08.009</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1016/j.jms.2016.08.009" target="_blank" >10.1016/j.jms.2016.08.009</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    Morphing ab initio potential energy curve of beryllium monohydride

  • Original language description

    Effective (mass-dependent) potential energy curves of the ground electronic states of (BeH)-Be-9, (BeD)-Be-9, and (BeT)-Be-9 are constructed by morphing a very accurate MR-ACPF ab initio potential of Koput (2011) within the framework of the reduced potential energy curve approach of Jenc (1983). The morphing is performed by fitting the RPC parameters to available experimental ro-vibrational data. The resulting potential energy curves provide a fairly quantitative reproduction of the fitted data. This allows for a reliable prediction of the so-far unobserved molecular states in terms of only a small number of fitting parameters.

  • Czech name

  • Czech description

Classification

  • Type

    J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

  • CEP classification

    CF - Physical chemistry and theoretical chemistry

  • OECD FORD branch

Result continuities

  • Project

    <a href="/en/project/GA15-10267S" target="_blank" >GA15-10267S: Molecular processes in the Universe</a><br>

  • Continuities

    I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Others

  • Publication year

    2016

  • 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 Molecular Spectroscopy

  • ISSN

    0022-2852

  • e-ISSN

  • Volume of the periodical

    330

  • Issue of the periodical within the volume

    Dec

  • Country of publishing house

    US - UNITED STATES

  • Number of pages

    7

  • Pages from-to

    89-95

  • UT code for WoS article

    000390634600012

  • EID of the result in the Scopus database

    2-s2.0-85003605082