Constructing Potential Energy Surfaces for Polyatomic Systems: Recent Progress and New Problems
Figure 4
Potential energy (b) and vibrational ground-state energy (a) along the reaction path of the H + NH3 → H2 + NH2 reaction computed using the EC-2009 (solid lines) and MC (dashed lines) surfaces. The zero of energy is set to the equilibrium potential energy of the reactants.