Transition moments, band strengths, and line strengths for NaH
- 1 May 1975
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 62 (9) , 3384-3388
- https://doi.org/10.1063/1.430991
Abstract
Electronic transition moments, as functions of internuclear separation, are calculated for the A 1Σ+ → X 1Σ+, B 1Π → X 1Σ+, B 1Π → A 1Σ+, c 3Σ+ → a 3Σ+, b 3Π → a 3Σ+, and b 3Π → c 3Σ+ transitions in NaH from a b i n i t i o molecular wavefunctions. Reduced line strengths, band strengths, band oscillator strengths, and band Einstein coefficients are calculated for the observed A 1Σ+ → X 1Σ+ transition, and are compared to experimental band intensities. Also calculated are Franck–Condon factors and R centroids, and the effects of various approximations used in treating experimental data are analyzed.Keywords
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