利用光学晶格中的冷原子进行工程模拟量子化学哈密顿量

Javier Argüello-Luengo, T. Shi, A. Gonz'alez-Tudela
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引用次数: 3

摘要

利用量子系统有效地解决量子化学问题是近期量子技术长期寻求的应用之一。在最近的一项工作中,超冷费米子原子被提出用于这些目的,展示了如何以模拟的方式模拟量子化学哈密顿量在晶格基集中的投影。在这里,我们将继续探索这条道路,并以几种方式超越这些最初的结果。首先,我们对模拟模拟器的工作条件进行了数值基准测试,并找到了要求较低的实验设置,其中仍然可以观察到三维化学样行为。我们还提供了由于离散化和有限尺寸效应而出现的模拟误差的更深层次的理解,并提供了一种减轻它们的方法。最后,我们对模拟双电子原子(He)和分子(HeH$^+$)的行为进行了基准测试,超出了原始工作中考虑的示例。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Engineering analog quantum chemistry Hamiltonians using cold atoms in optical lattices
Using quantum systems to efficiently solve quantum chemistry problems is one of the long-sought applications of near-future quantum technologies. In a recent work, ultra-cold fermionic atoms have been proposed for these purposes by showing how to simulate in an analog way the quantum chemistry Hamiltonian projected in a lattice basis set. Here, we continue exploring this path and go beyond these first results in several ways. First, we numerically benchmark the working conditions of the analog simulator, and find less demanding experimental setups where chemistry-like behaviour in three-dimensions can still be observed. We also provide a deeper understanding of the errors of the simulation appearing due to discretization and finite size effects and provide a way to mitigate them. Finally, we benchmark the simulator characterizing the behaviour of two-electron atoms (He) and molecules (HeH$^+$) beyond the example considered in the original work.
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