Ion-solvent cluster in the vicinity of an electrode: Semiempirical SCF model including image forces

A formalism is developed for an LCAO-MO-SCF calculation of a molecule in the field of its image charge as it approaches a metal surface. The CNDO approximations are then made, and the method is applied to the problem of a solvated sodium ion approaching a metal surface. The results of the calculation are discussed and compared with experimental quantities where possible.