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arXiv 2402.07100quant-ph
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基于量子流形优化的多体本征态求解

Many-Body Eigenstates from Quantum Manifold Optimization

Scott E. Smart, Prineha Narang

AI总结:

本研究利用流形优化技术,通过在 Stiefel 和 Grassmannian 流形上直接最小化来求解多体本征态问题,避免了状态参数化并自然编码正交性约束,从而支持同时计算多个本征态。

摘要:

量子计算为寻找多体本征态提供了多种新途径,其中变分方法是最灵活且面向近期的方案之一。这些方法需要对状态进行特定参数化,并且在求解多个本征态时必须引入正交性约束。在本研究中,我们利用流形优化技术,通过在 Stiefel 和 Grassmannian 流形上的直接最小化来求解多体本征态问题,从而避免了状态参数化,并允许同时计算多个本征态。这些黎曼流形能够自然地编码正交性约束,并且状态与切向量均具有高效的量子表示。我们给出了量子多体分子系统的示例计算,并讨论了求解多本征态问题的不同途径。

英文摘要:

Quantum computing offers several new pathways toward finding many-body eigenstates, with variational approaches being some of the most flexible and near-term oriented. These require particular parameterizations of the state, and for solving multiple eigenstates must incorporate orthogonality. In this work, we use techniques from manifold optimization to arrive at solutions of the many-body eigenstate problem via direct minimization over the Stiefel and Grassmannian manifolds, avoiding parameterizations of the states and allowing for multiple eigenstates to be simultaneously calculated. These Riemannian manifolds naturally encode orthogonality constraints and have efficient quantum representations of the states and tangent vectors. We provide example calculations for quantum many-body molecular systems and discuss different pathways for solving the multiple eigenstate problem.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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