Quantum orbital-optimized unitary coupled cluster methods in the strongly correlated regime: Can quantum algorithms outperform their classical equivalents?
Published in Journal of Chemical Physics, 2020
We evaluate efficient variants of the quantum Unitary Coupled Cluster (q-UCC) Ansatz - such as singlet and pair q-UCCD, in combination with orbital optimization - to tackle strongly correlated electronic systems. These reduced Ansatze significantly lower quantum resource requirements while retaining accuracy. We demonstrate that they accurately capture challenging features like bond dissociation and distortion in molecules such as H4, H2O, and N2, as well as in the 1D Fermi-Hubbard model.
Recommended citation: Igor O. Sokolov, et al. (2020). "Quantum orbital-optimized unitary coupled cluster methods in the strongly correlated regime." J. Chem. Phys.
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