Adiabatic corrections to the potential energy curves of the X  1∑+ state of the isotopic lithium hydrides

From isotopic spectroscopic data, the internuclear distance dependence of the adiabatic corrections to the potential energy curve has been determined for the ∑ state of a diatomic molecule. Starting from an analytic inversion procedure previously described, the adiabatic corrections can be found in...

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Veröffentlicht in:The Journal of chemical physics 1986-12, Vol.85 (12), p.6853-6857
Hauptverfasser: Hadinger, G., Tergiman, Y. S.
Format: Artikel
Sprache:eng
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Zusammenfassung:From isotopic spectroscopic data, the internuclear distance dependence of the adiabatic corrections to the potential energy curve has been determined for the ∑ state of a diatomic molecule. Starting from an analytic inversion procedure previously described, the adiabatic corrections can be found in a straightforward way, provided that they can be considered as perturbing terms of the vibration–rotation wave equation. Application to the case of the X 1∑+ state of the lithium hydrides 6LiH, 7LiH, 6LiD, and 7LiD is carried out. The adiabatic corrections ΔUH(R) and ΔULi(R) are obtained and compared with recent results.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.451422