Ab Initio Study of Electronic States of Astrophysically Important Molecules

被引：8

作者：

Valiev, R. R. ^{[1
,2
,3
]}

Berezhnoy, A. A. ^{[4
]}

Minaev, B. F. ^{[1
,5
]}

Chernov, V. E. ^{[6
]}

Cherepanov, V. N. ^{[1
]}

机构：

[1] Natl Res Tomsk State Univ, Tomsk, Russia

[2] Natl Res Tomsk Polytech Univ, Tomsk, Russia

[3] Tomsk State Univ, VD Kuznetsov Siberian Phys Tech Inst, Tomsk, Russia

[4] Moscow MV Lomonosov State Univ, PK Sternberg Astron Inst, Moscow, Russia

[5] Bogdan Khmelnitskii Natl Univ, Cherkassy, Ukraine

[6] Voronezh State Univ, Voronezh, Russia

来源：

RUSSIAN PHYSICS JOURNAL | 2016年 / 59卷 / 04期

基金：

俄罗斯基础研究基金会;

关键词：

LiO; NaO; KO; MgO; CaO; photolysis; reaction cross section; ab initio calculations; astrochemistry; exosphere; chemistry of impact processes; SPECTROSCOPIC PROPERTIES; ABSORPTION-SPECTRUM; EXOSPHERE; TETRAPHENYLPORPHYRIN; CHEMISTRY; OXIDES; LIMITS; ACID; NAO; IO;

D O I：

10.1007/s11182-016-0803-y

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

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.

引用

页码：536 / 543

页数：8

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