Orbital Description of the Excited States of LiH.
Carl F. Melius, William A. Goddard III
1972J. Chem. Phys., 56(7), 3348–335915cited
Abstract
The wavefunctions for the first five 1Σ+ states, the first four 3Σ+ states, and the first three 1II and 3II states of LiH have been obtained from ab initio G1 and SOGI calculations. The orbital description of the excited states of Li and LiH and the resulting correlation diagram are discussed.
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Melius, C. F. & III, W. A. G. (1972). Orbital Description of the Excited States of LiH.. *J. Chem. Phys.*, *56*(7), 3348–3359. https://doi.org/10.1063/1.1677704