Effective potential energy curves of the ground electronic state of CH+
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F13%3A00392204" target="_blank" >RIV/61388963:_____/13:00392204 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1063/1.4774374" target="_blank" >http://dx.doi.org/10.1063/1.4774374</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1063/1.4774374" target="_blank" >10.1063/1.4774374</a>
Alternative languages
Result language
angličtina
Original language name
Effective potential energy curves of the ground electronic state of CH+
Original language description
This study presents effective (mass-dependent) potential energy curves for the methylidyne cation, which reproduce highly accurately all the available spectral data and allow for evaluation of reliable ro-vibrational wavefunctions of the probed isotopomers. The ro-vibrational wavefunctions are then used to average ab initio calculated radial functions of the rotational g-factor and spin-rotation constants yielding rotational and vibrational matrix elements of these properties for specific ro-vibrationalstates or transition moments for all isotopomers. The results can be of use in answering open questions concerning the formation/destruction of CH+ in the interstellar medium and in the assignment of Zeeman or hyperfine splittings in rotational spectraof CH+.
Czech name
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Czech description
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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
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Result continuities
Project
<a href="/en/project/LH11022" target="_blank" >LH11022: Constructing accurate pair potentials from their ab initio approximants and accurate experimental data using the homotopic deformation (morphing)approach.</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2013
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 Chemical Physics
ISSN
0021-9606
e-ISSN
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Volume of the periodical
138
Issue of the periodical within the volume
2
Country of publishing house
US - UNITED STATES
Number of pages
9
Pages from-to
"024315/1"-"024315/9"
UT code for WoS article
000313642500036
EID of the result in the Scopus database
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