The influence of special relativity on quantum chemical phenomena can be understood entirely from the Dirac equation. The Dirac equation is the fully relativistic wave equation for the electron, which holds amongst its predictions spin and its coupling to magnetic fields. The Dirac equation will be examined in the low-speed limit to return a Schrodinger equation with relativistic perturbations. These scalar and vector perturbations, which explain s/p orbital contraction and d/f orbital destabilization, will be derived. The effect of special relativity on chemical bonding will also be discussed through an example.
This worksheet uses the Maple Quantum Chemistry Toolbox.