Abstract
A generalized valence-bond calculation of the lithium hydride molecule ion gave the total energy − 7.758855 a.u. at R = 3.736 a.u. Possible behavior of the potential-energy curve in the region 3.60–4.25 a.u. is discussed. Based on its behavior, the reason this molecule ion has not been experimentally established is explained and a possible method of producing it is suggested. Electron-density distribution and planar-density distribution are calculated and analyzed in comparison with the lithium hydride molecule.
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