Symmetry-adapted algebraic description of stretching and bending vibrations of ozone

Details Symmetry-adapted algebraic description of stretching and bending vibrations of ozone Symmetry-adapted algebraic description of stretching and bending vibrations of ozone

1996-05-09

arxiv.org/abs/chem-ph/9605001v2

J. Mol. Spectrosc. 184 (1997) 1-11

Physics

Chemical Physics

28 pages with 6 tables and 4 figures, revised version, Journal of Molecular Spectroscopy, in press

Scientific paper

The vibrational excitations of ozone, including both bending and stretching vibrations, are studied in the framework of a symmetry-adapted algebraic approach. This method is based on the isomorphism between the U(2) algebra and the one-dimensional Morse oscillator, and the introduction of point group symmetry techniques. The use of symmetry-adapted interactions, which in the harmonic limit have a clear physical interpretation, makes it possible to systematically include higher order terms and anharmonicities. A least-square fit to all published experimental levels (up to ten quanta) of 16 O_3 and 18 O_3 yields a r.m.s. deviation of 2.5 and 1.0 1/cm, respectively.

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