Limitations of a Theoretical Method to Calculate the Rovibrational Spectrum of Trimers: H\(^+_3\)
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A method proposed to assign the symmetry character of the rovibrational spectrum of trimers has been applied to the case of H\(^+_3\). This system, much lighter than previously investigated rare gas three body molecules such as Ar\(_3\) or Ne\(_3\), constitutes a challenging example to test the possible limitations of this approach. Calculation of the corresponding rovibrational spectra for \(J=1\) and rotational constants and the corresponding comparison with results from hyperspherical coordinates methods reveals that distorsion Coriolis coupling terms, not accounted for in the original method, play a significant role for some specific symmetry representations.
This work has been funded by MICINN with Grants Nos. FIS2014-51933-P, FIS2017-83157-P, FIS2014-52172-C2 and FIS2017-83473-C2.