Chaotic dynamics and approximate semiclassical quantization: Assigning highly excited vibrational eigenstates

Journal Article · Tue Jul 01 04:00:00 EDT 1997 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.475136· OSTI ID:530058

Davis, M J ^[1]

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1. Chemistry Division, Argonne National Laboratory, Argonne, Illinois 60439 (United States)

The classical dynamics of highly chaotic vibrational dynamics is studied via the nature of resonance zones. It is demonstrated that the flow into and out of the resonance zones is complicated with some trajectories spending less than one period outside before reentering, referred to here as {open_quotes}virtual recrossing.{close_quotes} Despite the strong chaos, an approximate semiclassical quantization method based on the resonance zone structure can be used to generate eigenvalues to within a few percent of the quantum values well into the chaotic regime. The semiclassical quantization allows for the assignment of highly excited, strongly mixed vibrational eigenstates. {copyright} {ital 1997 American Institute of Physics.}

• Research Organization: Argonne National Laboratory (ANL), Argonne, IL
• DOE Contract Number: W-31109-ENG-38
• OSTI ID: 530058
• Journal Information: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 1 Vol. 107; ISSN JCPSA6; ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

66 PHYSICS
EIGENVALUES
EXCITED STATES
MOLECULES
QUANTIZATION
SEMICLASSICAL APPROXIMATION
VIBRATIONAL STATES