Vibrational Excitations of Methane in the Framework of a Local-Mode Anharmonic Model.
The stretching and bending vibrations of methane are described in a local-mode anharmonic symmetry adapted model. Both Hecht- and Fermi-like interactions are considered. We start by establishing the Hamiltonian of the system in terms of internal coordinates and momenta. The Hamiltonian is then rewritten in terms of local creation (annihilation) operators a(dagger)(i)(a(i)), which are later anharmonized by means of the deformation of the harmonic oscillator algebra to the U(2) algebra. This procedure corresponds to the exact Morse result for the dominant matrix elements involved in the harmonically coupled anharmonic oscillator model (HCAO) introduced by Child and Lawton. We have carried out a fit to 40 experimental levels with an rms deviation of 1.17 cm(-1). In addition, we present a description of the dipole transition intensities. Copyright 2000 Academic Press.
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Instituto de Ciencias Nucleares, UNAM, Circuito Exterior, C.U., México, D.F, 04510, México
Frank
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