Uniform quantization conditions in the presence of symmetry: The rotational spectrum of SF sub 6

Journal Article · Fri Jun 01 04:00:00 EDT 1990 · Physical Review, A (General Physics); (USA)

DOI:https://doi.org/10.1103/PhysRevA.41.6052· OSTI ID:6687652

Robbins, J M; Creagh, S C; Littlejohn, R G ^[1]

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1. Department of Physics, University of California, Berkeley, California 94720 (USA)

Uniform semiclassical quantization conditions are obtained for a one-dimensional Hamiltonian possessing octahedral symmetry. The Hamiltonian describes the rotational dynamics of SF{sub 6}, a system in which tunneling plays an important role. Quantization conditions are obtained for each symmetry class. These are shown to agree with previously obtained primitive quantization conditions in the small tunneling limit and to reproduce a characteristic periodicity in the symmetries labels. Quantum and semiclassical eigenvalues are computed numerically. Near the classical separatrix the uniform quantization provides orders of magnitude improvement in accuracy over primitive quantization. Our calculation is based on periodic orbit theory, modified here to include classically forbidden reflections and transmissions, and completes a study undertaken in a previous paper. The methods used may be generalized to other Hamiltonians and symmetry groups.

• DOE Contract Number: AC03-76SF00098
• OSTI ID: 6687652
• Journal Information: Physical Review, A (General Physics); (USA), Journal Name: Physical Review, A (General Physics); (USA) Vol. 41:11; ISSN PLRAA; ISSN 0556-2791
• Country of Publication: United States
• Language: English

Related Subjects

640302* -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
ENERGY LEVELS
EXCITED STATES
FLUORIDES
FLUORINE COMPOUNDS
HALIDES
HALOGEN COMPOUNDS
HAMILTONIANS
MATHEMATICAL OPERATORS
QUANTIZATION
QUANTUM OPERATORS
ROTATIONAL STATES
SEMICLASSICAL APPROXIMATION
SULFUR COMPOUNDS
SULFUR FLUORIDES
SYMMETRY GROUPS