A SIMPLE POTENTIAL FUNCTION FOR MOLECULES

Abstract

A simple model is proposed, based upon a revised form of the orbital valence force $field,^{\dagger}$ to account for the quadratic potential constants of molecules. The model accounts for the valence angle bending force constants and their interactions with bond stretching coordinates by considering both changes in bond hybridization due to molecular deformation, and forces between non-bonded atoms. The model is applied to the ammonia molecule and some of the implications are examined.