Transition moments, band strengths, and line strengths for NaH

Electronic transition moments, as functions of internuclear separation, are calculated for the A1Σ+ → X1Σ+, B1Π → X1Σ+, B1Π → A1Σ+, c3Σ+ → a3Σ+, b3Π → a3Σ+, and b3Π → c3Σ+ transitions in NaH from ab initio molecular wavefunctions. Reduced line strengths, band strengths, band oscillator strengths, an...

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Published in:The Journal of chemical physics 1975-01, Vol.62 (9), p.3384-3388
Main Authors: Sachs, Edward S., Hinze, Juergen, Sabelli, Nora H.
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Language:English
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description Electronic transition moments, as functions of internuclear separation, are calculated for the A1Σ+ → X1Σ+, B1Π → X1Σ+, B1Π → A1Σ+, c3Σ+ → a3Σ+, b3Π → a3Σ+, and b3Π → c3Σ+ transitions in NaH from ab initio molecular wavefunctions. Reduced line strengths, band strengths, band oscillator strengths, and band Einstein coefficients are calculated for the observed A1Σ+ → X1Σ+ 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.
doi_str_mv 10.1063/1.430991
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title Transition moments, band strengths, and line strengths for NaH
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