Ab Initio Study of Electronic States of Astrophysically Important Molecules

LiO NaO KO MgO CaO photolysis reaction cross section ab initio calculations astrochemistry exosphere chemistry of impact processes
["Valiev, R. R","Berezhnoy, A. A","Minaev, B. F","Chernov, V. E","Cherepanov, V. N"] 2016-08-01 期刊论文
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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.
来源平台:RUSSIAN PHYSICS JOURNAL