Vibronic shifts for LiH in X and A states
F X Gadéa; F Gemperle; H Berriche; P Villarreal; G Delgado Barrio
Журнал:
Journal of Physics B: Atomic, Molecular and Optical Physics
Дата:
1997-06-28
Аннотация:
The energy shift of the vibrational levels of the X and A states due to the vibronic interactions within the manifold of states is accurately determined using a diabatic representation. These vibronic shifts which measure the breakdown of the Born - Oppenheimer approach are compared with the usual estimation where only the adiabatic correction is taken into account. The adiabatic corrections lead to a systematic overestimation of the full vibronic shift for the ground state and to an underestimation for the A one. These results have been related to the interstate dynamical couplings and rationalized using perturbative arguments. Their validity is expected to be very general.
98.71Кб