J. Main et al., EXTRACTING THE DYNAMICS IN CLASSICALLY CHAOTIC QUANTUM-SYSTEMS - SPECTRAL-ANALYSIS OF THE HO2 MOLECULE, The Journal of chemical physics, 107(17), 1997, pp. 6577-6583
We present a scaling technique to analyze quantum spectra, i.e., to ob
tain from quantum calculations detailed information about the underlyi
ng important classical motions. The method can be applied to a general
quantum system without a classical scaling property. A demonstration
on the conventionally unassignable vibrational spectrum of the HO2 rad
ical reveals remnants of classical broken tori embedded in the chaotic
phase space and leads to a new assignment of spectral patterns in ter
ms of classical Fermi resonances between the local mode motions. The s
caling technique also allows to investigate the statistical properties
of level spacings at fixed energies. The nearest neighbor spacing dis
tribution of the HO2 molecule undergoes a transition from mixed phase
space behavior at low energies to the Wigner distribution characterist
ic for chaotic systems at energies near the dissociation threshold. (C
) 1997 American Institute of Physics. [S0021-9606(97)03741-0].