Intramolecular dynamics from a statistical analysis of vibrational levels: Application of two coupled Morse oscillator models to the HCN molecule

Fabio Pichierri, Jair Botina, Naseem Rahman

Research output: Contribution to journalArticlepeer-review

14 Citations (Scopus)

Abstract

Two local-mode model Hamiltonians containing stretch-stretch couplings have been utilized to obtain the vibrational energy levels of the HCN molecule for the purpose of studying them statistically. The effect of the kinetic coupling has been clearly obtained from the statistical analysis which includes nearest-neighbor level-spacing distributions (NNLSD) and the 3 statistics of Dyson and Mehta. For NNLSD, a pronounced tendency towards the Wigner distribution has been found. The role of isotopic masses in the statistical properties of the vibrational spectra has also been elucidated. Comparison has been made between the results obtained from the two models. Correlation has been found between a transition to chaos (utilizing Poincaré sections and Lyapunov exponents) through classical mechanics and the above statistical behavior of the spectra.

Original languageEnglish
Pages (from-to)2624-2631
Number of pages8
JournalPhysical Review A
Volume52
Issue number4
DOIs
Publication statusPublished - 1995 Jan 1
Externally publishedYes

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

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