Comparison of quantal, classical, and semiclassical behavior at an isolated avoided crossing

Journal Article · Tue Mar 15 00:00:00 EST 1983 · J. Chem. Phys.; (United States)

DOI:https://doi.org/10.1063/1.445127· OSTI ID:5502650

Noid, D W; Koszykowski, M L; Marcus, R A

The quantal and classical/semiclassical behavior at an isloated avoided crossing are compared. While the quantum mechanical eigenvalue perturbation parameter plots exhibit the avoided crossing, the corresponding primitive semiclassical eigenvalue plots pass through the intersection. Otherwise, the eigenvalues agree well with the quantum mechanical values. The semiclassical splitting at the intersection is calculated from an appropriate Fourier transform. In the quasiperiodic regime, a quantum state near an avoided crossing is seen to exhibit typically more delocalization than the classical state. However, trajectories near the ''separatrix'' display a quasiperiodic ''transition'' between two zeroth order classical states.

• Research Organization: Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830
• OSTI ID: 5502650
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 78:6; 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
CLASSICAL MECHANICS
EIGENVALUES
ENERGY LEVELS
EXCITED STATES
MECHANICS
MOLECULES
QUANTUM MECHANICS
SEMICLASSICAL APPROXIMATION
SPECTRA
VIBRATIONAL STATES