Morphing ab initio potential energy curve of beryllium monohydride

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>

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
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Czech description
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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
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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

Publication year
2016
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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