An algebraic approach to describe the vibrational excitations of molecules is presented. The model is established in a local mode scheme and involves an anharmonization procedure in which the local harmonic oscillators associated to each internal degree of freedom are substituted by Morse oscillator
Anharmonicity: a route to vibrational localization
β Scribed by Qing-shi Zhu; Hua-feng Li; Xiao-gang Wang
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 415 KB
- Volume
- 212
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
The quenching effect of anhannonicity on the inter-bond coupling and Coriolis interaction is studied. The local to normal mode correlation diagrams for XY2 and XYJ stretching overtones up to ~60 and 20, respectively, are calculated in the normal mode model with Darling-Dennison resonances included. The results show that the high-energy stretching vibrations tend to be bondlocalized owing to the anharmonic ( Darling-Dennison) resonances.
π SIMILAR VOLUMES
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 rewrit
A previous mode1 for calculating the cross sections of the vibrational excitation of carbon monoxide by collision with carbon monoxide has been improved to include anharmonicity effects in the vibrational wavefunctions by describing them in terms of Morse oscillators. It is shown that this leads to