Born-Oppenheimer failure in the separation of low frequency vibrationsMills, I. (1984) Born-Oppenheimer failure in the separation of low frequency vibrations. Journal of Physical Chemistry, 88 (3). pp. 532-536. Full text not archived in this repository. It is advisable to refer to the publisher's version if you intend to cite from this work. See Guidance on citing. To link to this item DOI: 10.1021/j150647a043 Abstract/SummaryChanges in the effective potential function of a low-frequency large-amplitude molecular vibration, resulting from excitation of a high-frequency vibration, are discussed. It is shown that in some situations a significant contribution to such changes may arise from failure of the Born-Oppenheimer separation of the low-frequency mode. In the particular example of the HF dimer, recent evidence that the tunneling barrier increases on exciting either of the H-stretching vibrations is probably due to this effect.
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