Volume 48, Number 5, December 1999
|Page(s)||513 - 518|
|Section||Atomic and molecular physics|
|Published online||01 September 2002|
Breakdown of the Born-Oppenheimer approach for a diatomic molecule: LiH in the D state
Laboratoire de Physique Quantique, IRSAMC, Université Paul Sabatier, 118, route de Narbonne, 31062 Toulouse Cedex 4, France
2 Department of Mathematics, Faculty of Nuclear Science and Physical Engineering, Czech Technical University - Trojanova 13, 120 00 Praha 2, Czech Republic
Accepted: 3 October 1999
Breakdown of the Born-Oppenheimer adiabatic approach is found for the third electronic excited state of LiH of symmetry. A comparison between adiabatic and vibronic calculations indicates changes in the arrangement of the levels and strong level-shifts, rising up to . In the present case, the predictions can be easily confirmed by experiment with the help of the rotational constants. The generality of such breakdown of the adiabatic approach for highly excited states of molecular systems (even diatomic) is further discussed by considering the diabatic picture.
PACS: 31.15.Qg – Molecular dynamics and other numerical methods / 33.20.-t – Molecular spectra / 33.80.Gj – Diffuse spectra; predissociation, photodissociation
© EDP Sciences, 1999
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