arXiv:2305.01097 · The Journal of Physical Chemistry A

Unitary Coupled Cluster: Seizing the Quantum Moment

Ilias Magoulas, Francesco A. Evangelista

Published Jul 31, 2023• 10 citations

Abstract

Shallow, CNOT-efficient quantum circuits are crucial for performing accurate computational chemistry simulations on current noisy quantum hardware. Here, we explore the usefulness of noniterative energy corrections, based on the method of moments of coupled-cluster theory, for accelerating convergence toward full configuration interaction. Our preliminary numerical results relying on iteratively constructed ansätze suggest that chemically accurate energies can be obtained with substantially more compact circuits, implying enhanced resilience to gate and decoherence noise.

DOI: 10.1021/acs.jpca.3c02781

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