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An exchange-Coulomb model potential energy surface for the Ne–CO interaction. I. Calculation of Ne–CO van der Waals spectra
2009
Journal of Chemical Physics
Exchange-Coulomb model potential energy surfaces have been developed for the Ne-CO interaction. The initial model is a three-dimensional potential energy surface based upon computed Heitler-London interaction energies and literature results for the long-range induction and dispersion energies, all as functions of interspecies distance, the orientation of CO relative to the interspecies axis, and the bond length of the CO molecule. Both a rigid-rotor model potential energy surface, obtained by
doi:10.1063/1.3157169
pmid:19566156
fatcat:6bwziokgg5bovkfk6gx4qf6a7y