论文标题
工程模拟量子化学化学在光学晶格中使用冷原子
Engineering analog quantum chemistry Hamiltonians using cold atoms in optical lattices
论文作者
论文摘要
使用量子系统有效解决量子化学问题是近距离量子技术的长期应用之一。在最近的一项工作中，为这些目的提出了超冷的费米原子，向我们展示了如何以类似的方式模拟量子化学量汉密尔顿的量子汉密尔顿量。在这里，我们继续探索这条道路，并以多种方式超越这些第一个结果。首先，我们从数字上基准模拟模拟器的工作条件，并发现较少的苛刻的实验设置，在这些设置中仍然可以观察到三维中的化学样本行为。我们还可以更深入地了解由于离散化和有限尺寸效应而出现的模拟错误，并提供了减轻它们的方法。最后，我们基于表征两电子原子（He）和分子（HEH $^+$）的行为的模拟器，而不是原始作品中考虑的示例。
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 us 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.
