Bond potential-well depth 2026-10-13
For a diatomic molecule, let be the electronic potential energy at bond length , with the atomic nuclei treated as fixed while finding the electronic energy. Choose zero at infinitely separated chemical atoms in the specified electronic quantum states. If the minimum occurs at , the bond potential-well depth isThe bottom of this curve describes an equilibrium bond length, not an attainable motionless vibrational quantum state. Changing the zero of potential energy shifts both endpoints equally and leaves unchanged. A quantum harmonic oscillator approximates the curve near its minimum but rises without limit, so that local approximation alone cannot supply a dissociation asymptote. A Morse potential supplies both a minimum and a finite separated-fragment limit.[ref]
dissociation energy. definition: subscripts e and 0 distinguish the potential-energy minimum and ground state