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Calculation of Radiative Parameters for A1Σ+-X1Σ+ Electronic Transition of the KLi Molecule

Authors: Smirnov A.D. Published: 14.02.2017
Published in issue: #1(70)/2017  
DOI: 10.18698/1812-3368-2017-1-112-123

 
Category: Chemistry | Chapter: Physical Chemistry  
Keywords: potential energy curve, radial wave equation, Einstein coefficients, oscillator strengths, radiative lifetime of the excited electron state, Franck - Condon factors

The purpose of this study was to calculate the radiative parameters (Einstein coefficients of spontaneous radiation, oscillator strengths for absorption, Franok - Condon factors, r-centroid, vibrational-rotational wave numbers in electronic transition A1Σ+-X1Σ+ 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 energy curves constructed in the present work. We compared the calculated energies with experimental values and for the first time obtained the radiative lifetimes.

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