Abstract
A first proof-of-principle example for the semi-classical calculations of highly excited rotational levels is shown in this chapter. In particular, the sulfur dioxide molecule is used since it has been already described extensively in the literature and also states of large angular momentum quantum numbers J are well-known. The comparison of the semi-classical treatment to the full quantum mechanical values for \(J>40\) shows a good agreement. Also calculations for excited vibrational states, where the variational approach is used to calculate the rotational energy surface, are shown to be possible with the semi-classical method.
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Notes
- 1.
Actually, the ab-initio potential energy surfaces are mostly refined by using measured spectra, but nevertheless do not principally depend on experiments.
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Schmiedt, H. (2017). Application to Sulfur Dioxide. In: Molecular Symmetry, Super-Rotation, and Semiclassical Motion. Springer Series on Atomic, Optical, and Plasma Physics, vol 97. Springer, Cham. https://doi.org/10.1007/978-3-319-66071-4_12
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DOI: https://doi.org/10.1007/978-3-319-66071-4_12
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Publisher Name: Springer, Cham
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