Wave Mechanical Treatment of the Molecule Li2

The Li2+ molecule has been treated by methods previously applied to the study of Li2 by the writer. It appears that the dissociation energy of Li2+ must be greater than that of Li2, and is probably 1.30±0.05 e.v. The ratio of one- to two-electron bond strengths appears to be greater with Li2 than with H2 because the bonding wave functions are more diffuse. The inner shells play a deterring role in the binding in Li2+ similar to that found in Li2. The Heitler-London wave function has been compared with the much more accurate series function, and the general character of the satisfactory molecular orbital is noted. The form of the variational process used here appears to be particularly suitable for the treatment of one-electron bonds, and simple functions may be used to give highly satisfactory results, as illustrated by the cases of Li2+ and H2+.