Exploring molecular vibrational motions with periodic orbits

被引:61
作者
Farantos, SC [1 ]
机构
[1] UNIV CRETE, DEPT CHEM, IRAKLION 71110, GREECE
关键词
D O I
10.1080/01442359609353188
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
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.
引用
收藏
页码:345 / 374
页数:30
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