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Ab initio study of electronic states of astrophysically important molecules R. R. Valiev, A. A. Berezhnoj, B. F. Minaev [et.al.]

Contributor(s): Valiev, Rashid R | Minaev, Boris F | Chernov, V. E | Cherepanov, Victor N | Berezhnoy, A. AMaterial type: ArticleArticleSubject(s): фотолиз | оксиды металлов | астрохимия | электронные состояния | экзосферыGenre/Form: статьи в журналах Online resources: Click here to access online In: Russian physics journal Vol. 59, № 4. P. 536-543Abstract: 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.
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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.

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