Abstract
In search of a region where a local mode model stops being adequate to estimate the local force constants, the correlation diagram of the vibrational energy spectra associated with the stretching modes of triatomic molecules such as CO2 and H2O is analyzed by means of two interacting Morse oscillators. By considering a linear dependence of the structure and force constants, it is shown that the fidelity, entropy and Poincaré sections detect the polyad breaking process manifested in the transition from local to normal mode behaviors. Additionally Poincaré sections show a transition to chaos where the local polyad cannot be defined.
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