A theoretical study of spectroscopy and metastability of the CN2+ dication

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F12%3A10120332" target="_blank" >RIV/00216208:11310/12:10120332 - isvavai.cz</a>
Alternative codes found
RIV/61388955:_____/12:00375919
Result on the web
<a href="http://dx.doi.org/10.1016/j.chemphys.2011.09.028" target="_blank" >http://dx.doi.org/10.1016/j.chemphys.2011.09.028</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.chemphys.2011.09.028" target="_blank" >10.1016/j.chemphys.2011.09.028</a>

Result language
angličtina
Original language name
A theoretical study of spectroscopy and metastability of the CN2+ dication
Original language description
Potential energy curves of low-lying electronic states of the CN2+ dication and of the electronic ground states of CN+ and the neutral CN molecule were calculated using internally contracted multireference CI and the coupled cluster RCCSD(T) methods. Spectroscopic constants and adiabatic excitation energies of 13 quasibound electronic states of the dication were obtained and the energy of charge stripping of CN+ and double ionization energy of CN were predicted. Tunneling and spin-orbit induced predissociation lifetimes for the vibrational levels in the low-lying electronic states are presented and the metastability of the dication is discussed.
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
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Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2012
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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