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arXiv 2012.09194quant-phcond-mat.str-elcs.DS
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相互作用电子的近紧Trotterization

Nearly tight Trotterization of interacting electrons

Yuan Su, Hsin-Yuan Huang, Earl T. Campbell

摘要:

我们考虑在数字量子计算机上模拟量子系统。我们表明,量子模拟的性能可以提高,同时利用交换性的目标哈密顿量,稀疏的相互作用,和先验知识的初始状态。我们实现这一目标,使用Trotterization的一类相互作用的电子,包括各种物理系统,包括平面波的基础电子结构和费米-哈伯德模型。我们通过计算$η$ -电子流形中哈密顿项的嵌套子的跃迁振幅来估计模拟误差。我们开发了多种技术,用于限制一般费米子算子的跃迁振幅和期望,这可能是独立的兴趣。我们表明,它足以使用$\left(\frac{n^{5/3}}{η^{2/3}}+n^{4/3}η^{2/3}\right)n^{o(1)}$门模拟电子结构的平面波基础上的$n$自旋轨道和$η$电子,提高了最好的第二次量子化的结果,以一个可以忽略的因素,而优于第一次量子化的模拟时,$n=η^{2-o(1)}$。我们还对Fermi-哈伯德模型进行了改进。我们构建具体的例子,我们的边界几乎饱和,给出了一个几乎紧密的Trotterization相互作用的电子。

英文摘要:

We consider simulating quantum systems on digital quantum computers. We show that the performance of quantum simulation can be improved by simultaneously exploiting commutativity of the target Hamiltonian, sparsity of interactions, and prior knowledge of the initial state. We achieve this using Trotterization for a class of interacting electrons that encompasses various physical systems, including the plane-wave-basis electronic structure and the Fermi-Hubbard model. We estimate the simulation error by taking the transition amplitude of nested commutators of the Hamiltonian terms within the $η$-electron manifold. We develop multiple techniques for bounding the transition amplitude and expectation of general fermionic operators, which may be of independent interest. We show that it suffices to use $\left(\frac{n^{5/3}}{η^{2/3}}+n^{4/3}η^{2/3}\right)n^{o(1)}$ gates to simulate electronic structure in the plane-wave basis with $n$ spin orbitals and $η$ electrons, improving the best previous result in second quantization up to a negligible factor while outperforming the first-quantized simulation when $n=η^{2-o(1)}$. We also obtain an improvement for simulating the Fermi-Hubbard model. We construct concrete examples for which our bounds are almost saturated, giving a nearly tight Trotterization of interacting electrons.

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