To consider the simplest scenario of the interaction of an ion with a solvent molecule through a oneelectron operator, let us represent their wave functions in terms of Gaussian orbitals for a solvent molecule (assuming that the solvent consists of sufficiently light atoms) ψ solv =A solv •r n •exp(-α solv •r 2 ), where n=0 for the s-orbital and n=1 for the p-orbital and ψ ion =A ion •r n •exp(-α ion •r 2 ) for the s-, p-or d-orbital for the ion (n=2 for the d-orbital). A solv and A ion are normalizing coefficients, α solv =0.1 a.u. The eigenvalues of the orbitals of the solvent molecule and ion will look as follows: