E. Sjoqvist et O. Goscinski, THE MOLECULAR AHARONOV-BOHM EFFECT IN BOUND-STATES BEYOND THE ADIABATIC APPROXIMATION, Chemical physics, 186(1), 1994, pp. 17-26
The linear E X epsilon Jahn-Teller model with an ''extrinsic'' Aharono
v-Bohm solenoid of strength alpha, previously studied by Mead at the a
diabatic level, is generalized to the vibronic case. Energies and eige
nfunctions of the full vibronic Hamiltonian are calculated using eigen
functions of a two-dimensional harmonic oscillator with the solenoid a
dded at the origin. Oscillating spin densities and concomitant Ham's r
eduction factors are evaluated. The neglect of the diagonal vector pot
entials is equivalent to alpha=1/2 and, in this case, the reduction fa
ctors vanish for vibronic angular momentum j=1/2. The symmetries of th
e model are studied by partitioning technique. In the adiabatic regime
, vibronic spectra with alpha=0 and 1/2 are compared to adiabatic calc
ulations showing that the neglect of the diagonal vector potentials in
fluences the spectra more than the adiabatic approximation. Finally, w
ith alpha=1/2, degeneracies in the spectra show up at some vibronic co
upling strengths, indicating a hidden dynamical symmetry.