As far as dynamic behavior, why can't you just do physics simulations?
From my understanding of chemistry you don't really need to model inner shell electrons at all. And you can get pretty far without needing quantum physics (e.g. "water is an electrical dipole" is a sufficient model, you don't need to think about the orbital structures of hydrogen and oxygen).
From my understanding of chemistry you don't really need to model inner shell electrons at all. And you can get pretty far without needing quantum physics (e.g. "water is an electrical dipole" is a sufficient model, you don't need to think about the orbital structures of hydrogen and oxygen).