Why is the Schrödinger Equation Important in Catalysis?
The Schrödinger equation allows us to calculate the wave functions of electrons in a catalyst. These wave functions provide detailed information about the electron density and potential energy surfaces, which are crucial for understanding how a catalyst interacts with reactants and intermediates. By solving the Schrödinger equation, researchers can predict the reactivity and selectivity of catalysts, aiding in the design of more efficient catalytic materials.
