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The Calculation of Rotational Energy Levels and Rotational Line Intensities in Diatomic Molecules



Jon T. Hougen, G G. Wiersma


Procedures are described, in this pedagogical monograph, for making quantum mechanical calculations of rotational energy levels and rotational line intensities in diatomic molecules. The procedures are illustrated by sample calculations. A familiarity with the material of this report should enable a practicing electronic spectroscopist to carry out, though in a rather mechanical way, his own theoretical calculations for molecules under experimental investigation. The material of this report is aimed at electronic spectroscopists who have had the equivalent of one semester of graduate level quantum mechanics.
Monograph (NIST MN) - 115
Report Number
Created January 1, 2001, Updated November 10, 2018