Ab Initio Study of Electronic States of Astrophysically Important Molecules

A study of electronic states of LiO, NaO, KO, MgO, and CaO molecules has been performed. Potential energy curves of the investigated molecules have been constructed within the framework of the XMC-QDPT2 method. Lifetimes and efficiencies of photolysis mechanisms of these monoxides have been estimate...

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Published inRussian physics journal Vol. 59; no. 4; pp. 536 - 543
Main Authors Valiev, R. R., Berezhnoy, A. A., Minaev, B. F., Chernov, V. E., Cherepanov, V. N.
Format Journal Article
LanguageEnglish
Published New York Springer US 01.08.2016
Springer
Springer Nature B.V
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Summary:A study of electronic states of LiO, NaO, KO, MgO, and CaO molecules has been performed. Potential energy curves of the investigated molecules have been constructed within the framework of the XMC-QDPT2 method. Lifetimes and efficiencies of photolysis mechanisms of these monoxides have been estimated within the framework of an analytical model of photolysis. The results obtained show that oxides of the considered elements in the exospheres of the Moon and Mercury are destroyed by solar photons during the first ballistic flight.
ISSN:1064-8887
1573-9228
DOI:10.1007/s11182-016-0803-y