THE HF AND HCl DIMERS
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Date
1992
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Publisher
Ohio State University
Abstract
For each of the title molecules six-dimensional potential functions are available in analytical form; these have been obtained by fitting to ab initio points. In this talk we will present the results of calculations of the rotation-vibration energies for the four low frequency vibrational states $\nu_{3}$(the cis-bend). $\nu_{4}$ (the intermolecular stretch), $\nu_{5}$ (the trans-bend), and $\nu_{6}$ (the torsion), Various multi-dimensional rotation-vibration Hamiltonians have been used. It is hoped that we will be able to report the results of adjusting the potentials to fit data.""
Description
Author Institution: Herzberg Institute of Astrophysics, National Research Council of Canada; Department of Theoretical Chemistry, Cambridge University