r-Centroids: Average Internuclear Separations Associated with Molecular Bands

@inproceedings{Nicholls1956rCentroidsAI,
  title={r-Centroids: Average Internuclear Separations Associated with Molecular Bands},
  author={R. W. Nicholls and W. R. Jarmain},
  year={1956}
}
The r-centroid rν'ν'' of a molecular band is defined by ∫ Ψν'rΨν''dr/∫ Ψν'Ψν''dr and is an average internuclear separation which may be associated with the ν' → ν'' transition. Ψν' and Ψν'' are vibrational wave functions. The physical meaning of r-centroids is discussed and it is shown that the average internuclear separation rν' in the level ν' may be represented by the weighted mean of r-centroids with respect to Franck-Condon factors qν'ν''; i.e. rν' = Σν''qν'ν''rν'ν''. Methods for… Expand
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