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arXiv 2103.07988quant-ph
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在哈密顿模拟中利用反对易

Exploiting anticommutation in Hamiltonian simulation

Qi Zhao, Xiao Yuan

摘要:

量子计算可以有效地模拟多体量子物理学的哈密顿动力学,这是一项经典计算机通常难以处理的任务。困难在于量子算符普遍存在的反对易关系,对应于经典模拟中臭名昭著的负号问题。直观地说,具有更多交换项的哈密顿量也更容易在量子计算机上模拟,而反交换关系通常会导致更多错误,例如在乘积公式方法中。在这里,我们从理论上探讨了反交换关系在哈密顿模拟中的作用。我们发现,与我们的直觉相反,反交换关系也可以降低哈密尔顿模拟的难度。具体来说,具有相互反交换项的哈密顿量很容易模拟,就像由相互交换项组成的哈密顿量一样。这一性质可进一步用于一般问题的截断泰勒级数量子算法中,以减少算法误差或门复杂度。此外,我们提出了两个修改的线性组合的酉方法量身定制的哈密顿量与不同程度的反对易。我们数值验证了所提出的方法利用反对易关系可以显着提高电子哈密顿量的模拟精度。我们的工作揭示了交换和反交换关系在模拟量子系统中的作用。

英文摘要:

Quantum computing can efficiently simulate Hamiltonian dynamics of many-body quantum physics, a task that is generally intractable with classical computers. The hardness lies at the ubiquitous anti-commutative relations of quantum operators, in corresponding with the notorious negative sign problem in classical simulation. Intuitively, Hamiltonians with more commutative terms are also easier to simulate on a quantum computer, and anti-commutative relations generally cause more errors, such as in the product formula method. Here, we theoretically explore the role of anti-commutative relation in Hamiltonian simulation. We find that, contrary to our intuition, anti-commutative relations could also reduce the hardness of Hamiltonian simulation. Specifically, Hamiltonians with mutually anti-commutative terms are easy to simulate, as what happens with ones consisting of mutually commutative terms. Such a property is further utilized to reduce the algorithmic error or the gate complexity in the truncated Taylor series quantum algorithm for general problems. Moreover, we propose two modified linear combinations of unitaries methods tailored for Hamiltonians with different degrees of anti-commutation. We numerically verify that the proposed methods exploiting anti-commutative relations could significantly improve the simulation accuracy of electronic Hamiltonians. Our work sheds light on the roles of commutative and anti-commutative relations in simulating quantum systems.

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