A local anharmonic treatment of vibrations of methane

Details A local anharmonic treatment of vibrations of methane A local anharmonic treatment of vibrations of methane

1996-06-25

arxiv.org/abs/chem-ph/9606002v2

Rev. Mex. Fis. 45 (1999) 125-131

Physics

Chemical Physics

revised and updated version: 13 pages, 3 tables, Revista Mexicana de Fisica, in press

Scientific paper

The stretching and bending vibrations of methane are studied in a local
anharmonic model of molecular vibrations. The use of symmetry-adapted operators
reduces the eigenvalue problem to block diagonal form. For the 44 observed
energies we obtain a fit with a standard deviation of 0.81 cm$^{-1}$ (and a
r.m.s. deviation of 1.16 cm$^{-1}$).

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