Volume 116, Number 1, October 2016
|Number of page(s)||6|
|Section||Atomic, Molecular and Optical Physics|
|Published online||11 November 2016|
Fidelity, entropy, and Poincaré sections as tools to study the polyad breaking phenomenon
Instituto de Ciencias Nucleares, Universidad Nacional Autónoma de México - Apartado Postal 70-543, 04510 México, DF, México
Received: 8 February 2016
Accepted: 21 October 2016
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.
PACS: 33.20.-t – Molecular spectra / 33.20.Tp – Vibrational analysis / 05.45.Mt – Quantum chaos; semiclassical methods
© EPLA, 2016
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