Accurate Cluster Simulations Challenge Quantum Computer Expectations

Accurate Cluster Simulations Challenge Quantum Computer Expectations

Hunting for quantum advantage in electronic structure calculations is a highly non-trivial task. Calculations on the Fe$5$S${12}$H$_4^{5-}$ molecular system have now been performed with a CAS(89,102) active space, extending the limits of what is achievable with classical algorithms. These results establish a new benchmark against which future quantum computing approaches must be measured.