Are There Any Specific Meta-GGA Functionals Used in Catalysis?
Yes, several Meta-GGA functionals have been developed and are widely used in catalysis research. Some notable examples include:
TPSS (Tao-Perdew-Staroverov-Scuseria): Known for providing a good balance between accuracy and computational cost. SCAN (Strongly Constrained and Appropriately Normed): Offers high accuracy and is designed to satisfy all known constraints that a Meta-GGA functional should meet.
These functionals have been validated against a wide range of experimental data and have shown to perform well in predicting catalytic properties.
