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    Efficient implementation of the unitary coupled-cluster ansatz in high-dimensional trapped-ion systems

    Peng Wang, Xueying Yang, Chun-Wang Wu, Chunyan Li, Wei Wu, and Ping-Xing Chen*

    • *Contact author: pxchen@nudt.edu.cn

    Phys. Rev. A 111, 062427 – Published 23 June, 2025

    DOI: https://doi.org/10.1103/79nd-mr7f

    Abstract

    The variational quantum eigensolver (VQE) algorithm is particularly well suited for estimating the ground-state energies of molecular systems in the noisy intermediate-scale quantum era. However, the most popular unitary coupled-cluster ansatz requires a large number of qubits and gates that are constrained by short coherence time and hardware noise. In this study, we present schemes for estimating the ground-state energies of the molecules H2 and LiH using the VQE algorithm in a trapped-ion system with a high-dimensional method. It is shown that significantly fewer quantum gates are required to achieve the same result as the qubit-based model. High-dimensional quantum simulation can make more use of quantum resources. Utilizing the recently developed fixed-input-state method, the depth of the circuits can be further reduced. Only one and three single-qubit gates are required for the simulation of the H2 and LiH molecules, respectively. Finally, combined with the zero-noise extrapolation technique to mitigate the effects of noise, the accuracy of the results is significantly improved. These findings indicate that using a fixed input state in high-dimensional quantum simulations can enhance the performance of near-term quantum computing hardware.

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