Comment on “the rotation-vibration spectrum of diatomic molecules with the Tietz-Hua rotating oscillator”

  • KHODJA et al.
  • A. Khodja, F. Benamira, L. Guechi
  • International Journal of Quantum Chemistry, December 2016, Wiley
  • DOI: 10.1002/qua.25334

What is it about?

We present arguments demonstrating that the application of the Nikiforov-Uvarov polynomial method to solve the Schrödinger equation with the Tietz-Hua potential is valid only when e^{-b_{h}r_{e}}≤c_{h}<1 and r₀<r<+∞. In particular, it is point out that the numerical results with c_{h}≠0 for the diatomic molecules HF, N₂, I₂, H₂, O₂ and O₂⁺ given in Tables 3-5 by Hamzavi and co-workers are wrong. When -1<c_{h} <0 or 0<c_{h}<e^{-b_{h}r_{e}}, this approach is not suitable. In both cases, it is shown that the solutions of the Schrödinger equation are expressed in terms of the generalized hypergeometric functions ₂F₁(a,b,c;z). The determination of the energy levels requires the solution of transcendental equations involving the hypergeometric function by means of the numerical procedure.

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http://dx.doi.org/10.1002/qua.25334

The following have contributed to this page: Prof. Larbi Guechi