论文标题
迈向分子系统中高能量激发态的量子计算：核心水平状态的量子相估计
Towards quantum computing for high-energy excited states in molecular systems: quantum phase estimations of core-level states
论文作者
论文摘要
本文探讨了量子相估计（QPE）在计算高能激发态的效用，这些激发态的特征是促进占据内部能量壳的电子。在过去的几十年中，对这些状态进行了深入的研究，尤其是在支持光源的实验努力方面。将用QPE获得的结果与开发出用于描述核心水平状态的各种高临界性多体技术进行了比较。还讨论了量子相估计器在识别以高阶激发效应为特征的具有挑战性的重塑状态类别中的可行性。
This paper explores the utility of the quantum phase estimation (QPE) in calculating high-energy excited states characterized by promotions of electrons occupying inner energy shells. These states have been intensively studied over the last few decades especially in supporting the experimental effort at light sources. Results obtained with the QPE are compared with various high-accuracy many-body techniques developed to describe core-level states. The feasibility of the quantum phase estimator in identifying classes of challenging shake-up states characterized by the presence of higher-order excitation effects is also discussed.
