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Despite significant work on resource estimation for quantum simulation ofelectronic systems, the challenge of preparing states with sufficient groundstate support has so far been largely neglected. In this work we investigatethis issue in several systems of interest, including organic molecules,transition metal complexes, the uniform electron gas, Hubbard models, andquantum impurity models arising from embedding formalisms such as dynamicalmean-field theory. Our approach uses a state-of-the-art classical technique forhigh-fidelity ground state approximation. We find that easy-to-prepare singleSlater determinants such as the Hartree-Fock state often have surprisinglyrobust support on the ground state for many applications of interest. For themost difficult systems, single-determinant reference states may beinsufficient, but low-complexity reference states may suffice. For this weintroduce a method for preparation of multi-determinant states on quantumcomputers.

Postponing the orthogonality catastrophe: efficient state preparation for electronic structure simulations on quantum devices