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American Physical Society, Physical Review A, 3(88)

DOI: 10.1103/physreva.88.032506

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Vibrationally and rotationally nonadiabatic calculations onH3+using coordinate-dependent vibrational and rotational masses

This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Data provided by SHERPA/RoMEO

Abstract

Using the core-mass approach, we have generated a vibrational-mass surface for the triatomic H3+. The coordinate-dependent masses account for the off-resonance nonadiabatic coupling and permit a very accurate determination of the rovibrational states using a single potential energy surface. The new, high-precision measurements of 12 rovibrational transitions in the ν2 bending fundamental of H3+ by Wu et al. [ Phys. Rev. A 88 032507 (2013)] are used to scale this surface empirically and to derive state-dependent vibrational and rotational masses that reproduce the experimental transition energies to 10−3 cm−1. Rotational term values for J≤10 are presented for the two lowest vibrational states and equivalent transitions in D3+ considered.