How Does Meta-GGA Improve the Accuracy of Catalytic Studies?
Meta-GGA improves the accuracy by considering the kinetic energy density, which offers a more nuanced description of the electron distribution around atoms. This results in better predictions of binding energies, reaction barriers, and other properties critical to catalytic activity. The inclusion of kinetic energy density helps in capturing the subtle electronic effects that influence catalytic processes, which are often missed by simpler approximations.
