ABSTRACT
Here AH and BH are parameters, perhaps determined experimentally, qH is the partial charge on hydrogen (another parameter), and rHH is the distance between the hydrogen atoms. The first two new terms is known as a Lennard-Jones or van der Waals potential (which was first developed to describe the behavior of atomic gases), and the last the term is called the electrostatic energy and is just Coulomb’s law and describes the energy of interaction between charges.
