Ab Initio Study of Electronic States of Astrophysically Important Molecules

R. R. Valiev, A. A. Berezhnoy, B. F. Minaev, V. E. Chernov, V. N. Cherepanov

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)1-8
Number of pages8
JournalRussian Physics Journal
DOIs
Publication statusAccepted/In press - 13 Aug 2016

Fingerprint

photolysis
exosphere
moon
electronics
ballistics
molecules
potential energy
flight
life (durability)
oxides
photons
curves

Keywords

  • ab initio calculations
  • astrochemistry
  • CaO
  • chemistry of impact processes
  • exosphere
  • KO
  • LiO
  • MgO
  • NaO
  • photolysis
  • reaction cross section

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Ab Initio Study of Electronic States of Astrophysically Important Molecules. / Valiev, R. R.; Berezhnoy, A. A.; Minaev, B. F.; Chernov, V. E.; Cherepanov, V. N.

In: Russian Physics Journal, 13.08.2016, p. 1-8.

Research output: Contribution to journalArticle

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