(J + 1/2) squared or J(J + 1) as functional for rotational terms in analysis of molecular spectra

J. F. Ogilvie

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arXiv · 1905.01761

(J + 1/2) squared or J(J + 1) as functional for rotational terms in analysis of molecular spectra

J. F. Ogilvie

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Abstract

The theoretical and experimental evidence regarding the use of (J + 1/2) squared and J(J + 1) as a functional in formulae for rotational term values in the spectral analysis of a diatomic molecule in electronic state singlet-Sigma is scrutinised. The infrared spectra of HCl serve as examples of the application of the two functionals. Tbe total evidence indicates that (J + 1/2) squared is preferable to J(J + 1) for the stated purpose, confirming Mulliken's statement in 1930.

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J. F. Ogilvie. 2019-05-05. (J + 1/2) squared or J(J + 1) as functional for rotational terms in analysis of molecular spectra. https://arxiv.org/abs/1905.01761

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