Orbital Description of the Excited States of LiH

1 April 1972

journal article
conference paper
Published by AIP Publishing in The Journal of Chemical Physics

Vol. 56 (7) , 3348-3359
https://doi.org/10.1063/1.1677704

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.

Keywords

EXCITED STATES

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