Kavli Affiliate: Birgitta Whaley
| First 5 Authors: Hang Ren, Yipei Zhang, Wendy M. Billings, Rebecca Tomann, Nikolay V. Tkachenko
| Summary:
We present a shadow-tomography-enhanced Non-Orthogonal Quantum Eigensolver
(NOQE) for more efficient and accurate electronic structure calculations on
near-term quantum devices. By integrating shadow tomography into the NOQE, the
measurement cost scales linearly rather than quadratically with the number of
reference states, while also reducing the required qubits and circuit depth by
half. This approach enables extraction of all matrix elements via randomized
measurements and classical postprocessing. We analyze its sample complexity and
show that, for small systems, it remains constant in the high-precision regime,
while for larger systems, it scales linearly with the system size. We further
apply shadow-based error mitigation to suppress noise-induced bias without
increasing quantum resources. Demonstrations on the hydrogen molecule in the
strongly correlated regime achieve chemical accuracy under realistic noise,
showing that our method is both resource-efficient and noise-resilient for
practical quantum chemistry simulations in the near term.
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