ELECTRONIC STRUCTURE OF C-Li AND Si-Li IN THE LOWEST $^{4}\Sigma^{-}$ AND $^{2}\pi$ STATES
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Date
1982
Journal Title
Journal ISSN
Volume Title
Publisher
Ohio State University
Abstract
We have studied the electronic structure of C-Li and Si-Li in the $^{4}\Sigma^{-}$ and $^{2}\pi$ states using ab-initio SCF, MCSCF and Cl techniques. We find that both CLi and SiLi have $^{4}\Sigma^{-}$ ground states with the $^{2}\pi$ being 33 and 14 kcal/mol higher respectively. Potential energy curves and spectroscopic constants are presented for the title molecules and some speculation as to the possible consequences of the $^{4}\Sigma^{-}$ ground state of SiLi and CLi is indulged in.