Implementation of the Projective Quantum Eigensolver on a Quantum Computer.

Abstract

We study the performance of our previously proposed projective quantum eigensolver (PQE) on IBM's quantum hardware in conjunction with error mitigation techniques. For a single qubit model of H2, we find that we are able to obtain energies within 4 millihartree (2.5 kcal/mol) of the exact energy along the entire potential energy curve, with the accuracy limited by both the stochastic error and the inconsistent performance of the IBM devices. We find that an optimization algorithm using direct inversion of the iterative subspace can converge swiftly, even to excited states, but stochastic noise can prompt large parameter updates. For the 4-site transverse-field Ising model at its critical point, PQE with an appropriate application of qubit tapering can recover 99% of the correlation energy, even after discarding several parameters. The large number of CNOT gates needed for the additional parameters introduces a concomitant error that, on the IBM devices, results in a loss of accuracy despite the increased expressivity of the trial state. Error extrapolation techniques and tapering or postselection are recommended to mitigate errors in PQE hardware experiments.