Key points are not available for this paper at this time.
Ab initio multiconfiguration self-consistent-field calculations are reported for the potential curves and electronic wave functions of the states X 1Σ+, A 1Σ+, B 1Π, 3Σ+, and Π3 of LiH. In this calculation, the outer two electrons are correlated, while the 1σ shell, essentially a K shell on Li, is left uncorrelated. The obtained dissociation energies, with the known experimental values in parentheses, are De(X 1Σ+)=2.411(2.5154) eV, De(A 1Σ+)=1.048 (1.0765) eV, De(B 1Π)=0.017 (0.035) eV and De(3Π)=0.226 eV.
Docken et al. (Fri,) studied this question.