• M A Rosales

      Articles written in Pramana – Journal of Physics

    • The inversion potential for NH3 and its isotopic species

      A N Aquino A Palma J L López M A Rosales

      More Details Abstract Fulltext PDF

      Usingab initio data of the potential surface for the ground state of NH3 a function is obtained to represent, with a very high precision, the potential along the inversion coordinate. The inversion spectra of NH3, ND3, NH2D and NHD2 are found by numerically solving the Schrödinger equation for this potential. Comparison is made of the calculated inversion frequencies and the experimental values, and the molecular constants of NH3 are also compared to those found in the literature.

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