Exploring molecular vibrational motions with periodic orbits
- 1 September 1996
- journal article
- research article
- Published by Taylor & Francis in International Reviews in Physical Chemistry
- Vol. 15 (2) , 345-374
- https://doi.org/10.1080/01442359609353188
Abstract
The theory of periodic orbits for conservative Hamiltonian systems and the way that it is applied to analyse vibrational spectra of highly excited polyatomic molecules is reviewed. Applications for triatomic, tetratomic molecules and van der Waals clusters are presented. It is shown that the periodic orbit method can trace localized eigenfunctions above potential barriers which are associated with saddle-node bifurcations. Such states connect separate minima on the potential energy surface, and thus, are important for studying isomerization processes.Keywords
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