Abstract

AbstractThe iterative quantum phase estimation algorithm (IQPE) is theoretically appealing in its wide scope of being able to handle electronic correlation. However, the quality of the initial input state strongly enhances the probability of landing on the desired eigenstate. In this work, we systematically study two different parametrization schemes of the unitary coupled cluster (UCC) ansätz in the variational quantum eigensolver (VQE) framework toward the reference state preparation for IQPE. The efficacy of the UCC variants toward an appropriate state preparation is studied with prototypical H4 molecule on a circle. While the conventional UCC ansätz can lead to high success probability across various degrees of electronic complexity, a resource efficient minimally parametrized UCC ansätz consisting of active space excitations is shown to incorporate the essential static correlation in the reference state description. We demonstrate that such a carefully prepared initial state can significantly reduce the effects of noise due to sampling in the estimation of the desired eigenphase.

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