What are Some Challenges in Using Quantum Perturbation Theory in Catalysis?
One significant challenge is ensuring that the perturbation is small enough for the series expansion to converge. If the perturbation is too large, the approximations may become inaccurate. Additionally, the computational cost can be high, especially for systems with many atoms or complex interactions. Finally, accurately describing the perturbing Hamiltonian requires detailed knowledge of the interactions within the system, which can be difficult to obtain.
