Authors
Norm M Tubman, Carlos Mejuto-Zaera, Jeffrey M Epstein, Diptarka Hait, Daniel S Levine, William Huggins, Zhang Jiang, Jarrod R McClean, Ryan Babbush, Martin Head-Gordon, K Birgitta Whaley
Publication date
2018/9/14
Journal
arXiv preprint arXiv:1809.05523
Description
Despite significant work on resource estimation for quantum simulation of electronic systems, the challenge of preparing states with sufficient ground state support has so far been largely neglected. In this work we investigate this issue in several systems of interest, including organic molecules, transition metal complexes, the uniform electron gas, Hubbard models, and quantum impurity models arising from embedding formalisms such as dynamical mean-field theory. Our approach uses a state-of-the-art classical technique for high-fidelity ground state approximation. We find that easy-to-prepare single Slater determinants such as the Hartree-Fock state often have surprisingly robust support on the ground state for many applications of interest. For the most difficult systems, single-determinant reference states may be insufficient, but low-complexity reference states may suffice. For this we introduce a method for preparation of multi-determinant states on quantum computers.
Total citations
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