Previously, a question was asked about an equation that is able to calculate the forces of attraction between a surface and molecules (of another substance). During the discussion of the question a thought for a new question arose.
Let us suppose that a surface and molecules of another substance interact to each other. The substance is something like honey, clay, glue, or resin, i.e. one has an adhesion property. Besides, some of the substances can be corrosive in relation to the surface. (Undoubtedly, corrosive substances may not have an adhesion property as well.) Corrosion can affect in different ways that depends on its activity (strong/weak/medium etc.).
Interesting questions appear.
Due to an action of corrosion an exchange of atoms between the surface and molecules of the substance can appear. Therefore the system will have moving cores of atoms and in this case the Hamiltonian of the cores of the atoms cannot be neglected. Is it right? Does Hartee–Fock and DFT theory allow taking into account moving cores of atoms? Maybe is there a phenomenological theory doing a calculation of attraction forces of the system without solving Hartree–Fock or Kohn–Sham equation? In the process of the interaction, hydrogen bonds can appear. How can they be taken into account?