On the determination of the reduced rotational operator for polyatomic molecules |
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| Institution: | 1. DEST and PPGEA-Universidade Federal do Espirito Santo, Brazil;2. Laboratoire des Signaux et Systèmes, Centrale Supélec, Gif sur Yvette, France;3. UMR MIA-Paris, AgroParisTech, INRA, Université Paris-Saclay, 75005, Paris, France;4. Department of Mathematics, Boston University, United States |
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| Abstract: | Irreducible tensorial sets are used for constructing the reduced rotational Hamiltonian of the molecule, i.e., for obtaining the Hamiltonian with independent rotational, centrifugal distortion, and resonance parameters. General formulas are obtained which allow one to do this, and are valid for molecules of any symmetry. As an illustration of the general results, molecules of Td symmetry are considered. |
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