Extracting the dynamics in classically chaotic quantum systems: Spectral analysis of the HO{sub 2} molecule

Journal Article · Sat Nov 01 04:00:00 EST 1997 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.474900· OSTI ID:632538

Main, J ^[1]; Jung, C ^[2]; Taylor, H S ^[3]

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1. Institut fuer Theoretische Physik I, Ruhr-Universitaet Bochum, D-44780 Bochum (Germany)
2. UNAM Instituto de Matematicas, Unidad Cuernavaca, Av. Universidad s/n, 62251, Cuernavaca (Mexico)
3. Department of Chemistry, University of Southern California, Los Angeles, California 90089 (United States)

We present a scaling technique to analyze quantum spectra, i.e., to obtain from quantum calculations detailed information about the underlying 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 HO{sub 2} radical reveals remnants of classical broken tori embedded in the chaotic phase space and leads to a new assignment of spectral patterns in terms of classical Fermi resonances between the local mode motions. The scaling technique also allows to investigate the statistical properties of level spacings at fixed energies. The nearest neighbor spacing distribution of the HO{sub 2} molecule undergoes a transition from mixed phase space behavior at low energies to the Wigner distribution characteristic for chaotic systems at energies near the dissociation threshold. {copyright} {ital 1997 American Institute of Physics.}

• DOE Contract Number: FG03-94ER14458
• OSTI ID: 632538
• Journal Information: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 17 Vol. 107; ISSN JCPSA6; ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

66 PHYSICS
DISSOCIATION
FERMI RESONANCE
FLUCTUATIONS
HYDROGEN COMPOUNDS
INFRARED SPECTRA
OXYGEN COMPOUNDS
PHASE SPACE
QUANTUM MECHANICS
RADICALS
VIBRATIONAL STATES
WIGNER DISTRIBUTION