Расчет радиационных параметров электронного перехода A1Sigma+ - X1Sigma+ молекулы KLi

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Расчет радиационных параметров электронного перехода…
ISSN 1812-3368. Вестник МГТУ им. Н.Э. Баумана. Сер. Естественные науки. 2017. № 1 121
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1 1
u g A X     bands system of 107,109Ag2 // J. Mol. Spectr. 2008. Vol. 248. P. 111–121.
Смирнов Александр Давыдович — канд. хим. наук, доцент кафедры «Химия» МГТУ
им. Н.Э. Баумана (Российская Федерация, 105005, Москва, 2-я Бауманская ул., д. 5).
Просьба ссылаться на эту статью следующим образом:
Смирнов А.Д. Расчет радиационных параметров электронного перехода 1 1 A X    
молекулы KLi // Вестник МГТУ им. Н.Э. Баумана. Сер. Естественные науки. 2017. № 1.
C. 112–123. DOI: 10.18698/1812-3368-2017-1-112-123
CALCULATIONOF RADIATIVE PARAMETERS FOR А1+ – Х 1+ ELECTRONIC
TRANSITIONOF THE KLi MOLECULE
A.D. Smirnov
Bauman Moscow State Technical University, Moscow, Russian Federation
Abstract Keywords
The purpose of this study was to calculate the radia-
tive parameters (Einstein coefficients of spontaneous radia-
tion, oscillator strengths for absorption, Franсk — Condon
factors, r-centroid, vibrational-rotational wave numbers
in electronic transition A1+–X1+ for the molecule KLi
(0  v′  20, 0  v′′  36, j′= 0, 30, 50, 70)) and radiative
lifetimes of excited electronic state. The vibrational energies
and the wave functions are found as a result of numerical
solving of the radial wave equation based on potential ener-
gy curves constructed in the present work. We compared the
calculated energies with experimental values and for the first
time obtained the radiative lifetimes
Potential energy curve, radial wave
equation, Einstein coefficients, oscil-
lator strengths, radiative lifetime of
the excited electron state, Franck —
Condon factors
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