Bound and Low-Lying Quasi-Bound Rotation-Vibration Energy Levels of the Ground and First Excited Electronic States of HeH2+.

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F02%3A54020122" target="_blank" >RIV/61388955:_____/02:54020122 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Result language
angličtina
Original language name
Bound and Low-Lying Quasi-Bound Rotation-Vibration Energy Levels of the Ground and First Excited Electronic States of HeH2+.
Original language description
Adiabatic potential energy surfaces are calculated for the ground and first excited electronic states of HeH2+ including their respective lowest dissociation limits: HeH2+((X) over tilde (2)A'') --> He(S-1) + H-2(+)((X) over tilde (2)Sigma(g)(+)) and HeH2+((A) over tilde (2)A) --> He+(S-2) + H-2((A) over tilde (1)Sigma(g)(+)). Using the Sutcliffe-Tennyson Hamiltonian for triatomic molecules, the energies of the rotation-vibration bound states are determined variationally and the energy positions and widths of low-lying quasi-bound resonance states are obtained applying the stabilization method. For the excited electronic state a number of resonances are predicted which have considerably long lifetimes and can therefore be expected to be important for adetailed description of the chemical reactivity of the HeH2+ ion. The positions of these resonance states are shown to coincide closely with the eigenvalues of an approximate Hamiltonian derived.
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/LN00A032" target="_blank" >LN00A032: Structure and dynamics of complex molecular systems and biomolecules</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year
2002
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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