What are the Challenges in Using Quantum Mechanical Methods?
Despite their advantages, there are several challenges associated with the use of quantum mechanical methods in catalysis:
Computational Cost: High accuracy methods can be computationally expensive, limiting their application to small systems or requiring significant computational resources. Complexity: The interpretation of results often requires a deep understanding of both quantum mechanics and the specific catalytic system under study. Approximation Errors: All methods involve some level of approximation, which can introduce errors, particularly in complex systems.
