Quantum and semiclassical description of a triply degenerate anharmonic oscillator

Journal Article · Fri Nov 01 04:00:00 EST 1985 · J. Chem. Phys.; (United States)

DOI:https://doi.org/10.1063/1.449033· OSTI ID:5238980

Patterson, C W

Quantum and semiclassical energies are compared as a function of anharmonicity using the Hecht Hamiltonian for the triply degenerate anharmonic oscillator for octahedral and tetrahedral molecules. Semiclassical energies are found by turning on the potential adiabatically and the corresponding classical trajectories are described in terms of an adiabatic vibrational energy (VE) surface. Accurate semiclassical energies are obtained for chaotic trajectories near the separatrix of the VE surface. The quantum wave functions corresponding to the semiclassical trajectories after the onset of chaos are used to disprove a recently proposed quantum analog to classical quasiperiodic motion.

• Research Organization: Theoretical Division, University of California, Los Alamos National Laboratory, Los Alamos, New Mexico 87545
• OSTI ID: 5238980
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 83:9; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

640305* -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Theory-- (-1987)
74 ATOMIC AND MOLECULAR PHYSICS
ANHARMONIC OSCILLATORS
ELECTRONIC EQUIPMENT
ENERGY LEVELS
EQUIPMENT
EXCITED STATES
FUNCTIONS
MATHEMATICAL MODELS
MECHANICS
MOLECULAR MODELS
MULTI-PHOTON PROCESSES
OSCILLATORS
QUANTUM MECHANICS
SEMICLASSICAL APPROXIMATION
VIBRATIONAL STATES
WAVE FUNCTIONS