Representing Born -Oppenheimer breakdown radial correction functions for diatomic molecules

  title={Representing Born -Oppenheimer breakdown radial correction functions for diatomic molecules},
  author={R. L. Roy and Yiye Huang},
  journal={Journal of Molecular Structure-theochem},
Abstract The empirical determination of Born–Oppenheimer breakdown (BOB) correction functions from the analysis of high resolution diatomic molecule spectra is becoming increasingly common. However, in virtually all applications to date, the analytic expressions used to represent those functions have unphysical limiting behaviour which makes the resulting overall potential energy functions unusable at long-range. This paper delineates the limiting physical constraints, which should be imposed… Expand

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