Additivity of contributions to the stabilization energy of donor-acceptor complexes

Abstract

It is shown that the use of the wave function Ψ=ψ^D_mod(i)ψ^A_mod(j)+λΨ(D⁺A^–) to describe the ground states of donor-acceptor complexes, where ψ_mod is a wave function modified by electrostatic, induction, dispersion and exchange forces, in general, fails to give the full contribution of induction and dispersion energies to the stability of the complex.