发表机构
Pacific Northwest National Laboratory; University of Washington（太平洋西北国家实验室; 华盛顿大学）
机构由 AI 辅助整理，请以论文原文为准。AI 中文总结
针对量子模拟中关联模型与计算的不完备噪声问题，提出DS-NOCI双空间变分框架，可提升弹性并给出更优基态能量，为量子多体公式构建提供通用策略。
AI 中文摘要
关联多体系统的量子模拟必然会在不完备信息下运行：制备的态可能来自不完备或近似的参量化，而其测量得到的哈密顿量和重叠矩阵元还会受到硬件与统计噪声的影响。鲁棒量子算法是指那些即便存在这些缺陷，仍能改进可靠低层次描述的算法。我们围绕这一原则引入双空间非正交组态相互作用（DS-NOCI）框架。DS-NOCI不将经典可访问的NOCI参考流形替换为关联量子态，而是保留两个空间并通过变分方式耦合它们。参考部分提供稳定的多体骨架，而量子态则贡献其包含的任何额外关联方向。在矩阵元精确的情况下，扩大的双空间给出的基态能量不高于仅参考的NOCI或仅关联的量子-NOCI空间，确保不完备关联模型不会劣化基础变分描述。额外的参考-关联矩阵元仅需要一次关联态制备，因此比NOCI量子变体已要求的关联-关联块的需求更低。分子基准测试进一步显示其对不完备振幅和噪声矩阵元的弹性增强。因此，DS-NOCI为构建量子多体公式提供了通用策略，当关联模型和量子计算必然不完备且带噪声时，这些公式仍能发挥作用。
英文摘要
Quantum simulations of correlated many-body systems will inevitably operate with imperfect information: the prepared states may arise from incomplete or approximate ansatze, while their measured Hamiltonian and overlap matrix elements are additionally affected by hardware and statistical noise. Robust quantum algorithms will be those that can improve upon reliable lower-level descriptions in spite of these imperfections. We introduce a dual-space nonorthogonal configuration-interaction (DS-NOCI) framework built around this principle. Rather than replacing a classically accessible NOCI reference manifold with correlated quantum states, DS-NOCI retains both spaces and couples them variationally. The reference sector provides a stable many-body backbone, while the quantum states contribute whatever additional correlation directions they contain. With exact matrix elements, the enlarged dual space gives a ground-state energy no higher than either the reference-only NOCI or correlated-only quantum-NOCI spaces, ensuring that an incomplete correlation model cannot degrade the underlying variational description. The additional reference--correlated matrix elements require only one correlated state preparation and are therefore less demanding than the correlated--correlated block already required by quantum variant of NOCI. Molecular benchmarks further show enhanced resilience to imperfect amplitudes and noisy matrix elements. DS-NOCI thus provides a general strategy for building quantum many-body formulations that remain useful when both correlation models and quantum computations are necessarily incomplete and noisy.
