While complete active space self-consistent field (CASSCF) or CASSCF augmented by second-order perturbation theory (CASPT2) are commonly employed as wavefunction methods in such studies, embedded adaptive sampling configuration interaction (ASCI) has been considered if larger active spaces need to be treated. ASCI was used in a study on the H 2 desorption from and methane dissociation on copper surfaces, although it was found to be less successful than embedded CASPT2 for those examples (see Fig. ).