Exploring molecular vibrational motions with periodic orbits
作者:
StavrosC. Farantos,
期刊:
International Reviews in Physical Chemistry
(Taylor Available online 1996)
卷期:
Volume 15,
issue 2
页码: 345-374
ISSN:0144-235X
年代: 1996
DOI:10.1080/01442359609353188
出版商: Taylor & Francis Group
数据来源: Taylor
摘要:
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.
点击下载:
PDF (1762KB)
返 回