An adiabatic study of the X 1Σ+ state of LiH
- 1 February 1983
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 78 (3) , 1396-1403
- https://doi.org/10.1063/1.444881
Abstract
Using a 411-term configurational-interaction wave function with an elliptical orbital basis, the potential curve for the ground state (X 1Σ+) of lithium hydride has been calculated. The curve is of superior quality to those previously published. With the corresponding wave functions, the adiabatic corrections to this curve have been found and are compared with recent values derived from an analysis of the available spectroscopic data for the four LiH isotopes.Keywords
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