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 in | Russian physics journal Vol. 59; no. 4; pp. 536 - 543 |
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Main Authors | , , , , |
Format | Journal Article |
Language | English |
Published |
New York
Springer US
01.08.2016
Springer Springer Nature B.V |
Subjects | |
Online Access | Get full text |
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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. |
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ISSN: | 1064-8887 1573-9228 |
DOI: | 10.1007/s11182-016-0803-y |