Magoulas Ilias, Evangelista Francesco A
Department of Chemistry and Cherry Emerson Center for Scientific Computation, Emory University, Atlanta, Georgia 30322, United States.
J Phys Chem A. 2023 Aug 10;127(31):6567-6576. doi: 10.1021/acs.jpca.3c02781. Epub 2023 Jul 31.
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.
浅的、高效实现量子非门操作的量子电路对于在当前有噪声的量子硬件上执行精确的计算化学模拟至关重要。在此,我们基于耦合簇理论的矩方法探索非迭代能量校正对于加速收敛到完全组态相互作用的有用性。我们基于迭代构建的量子态近似的初步数值结果表明,使用实质上更紧凑的电路可以获得化学精度的能量,这意味着对门噪声和退相干噪声的抗性增强。