Homoclinic motions in the vibrational spectra of floppy systems: The LiCN molecule

F. BORONDO, E. VERGINI, D. A. WISNIACKI, A. A. ZEMBEKOV, R. BENITO, F. BORONDO

JOURNAL OF CHEMICAL PHYSICS

Año: 2005 vol. 122 p. 1111011 - 1111014

0021-9606

Recent experimental and theoretical methods allowed the efficient investigation of highly excited rovibrational states of molecular systems. At these levels of excitation the correspondence principle holds, and then classical mechanics can provide intuitive views of the involved processes. In this respect, we have recently shown that for completely hyperbolic systems, homoclinic motions, which are known to organize the classical chaotic region in Hamiltonian systems, imprint a clear signature in the corresponding highly excited quantum spectra. In this Communication we show that this result also holds in mixed systems, by considering an application to the floppy LiNC/LiCN molecular system.