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Determining quantum Monte Carlo simulability with geometric phases
Physical Review Research ( IF 3.5 ) Pub Date : 2021-04-29 , DOI: 10.1103/physrevresearch.3.023080
Itay Hen

Although stoquastic Hamiltonians are known to be simulable via sign-problem-free quantum Monte Carlo (QMC) techniques, the nonstoquasticity of a Hamiltonian does not necessarily imply the existence of a QMC sign problem. We give a sufficient and necessary condition for the QMC-simulability of Hamiltonians in a given basis: We prove that a QMC simulation will be sign-problem-free if and only if all the overall total phases along the chordless cycles of the weighted graph whose adjacency matrix is the Hamiltonian are zero (modulo 2π). We use our findings to provide a construction for nonstoquastic, yet sign-problem-free and hence QMC-simulable, quantum many-body models. We also demonstrate why the simulation of truly sign-problematic models using the QMC weights of the stoquasticized Hamiltonian is generally suboptimal. We offer a superior alternative.

中文翻译:

确定具有几何相位的量子蒙特卡洛可模拟性

尽管已知可以通过无符号问题的量子蒙特卡洛(QMC)技术来模拟随机哈密顿量,但是哈密顿量的非随机性并不一定意味着存在QMC符号问题。我们在给定的基础上为哈密顿量的QMC可模拟性提供了充分必要的条件:我们证明,当且仅当沿着加权图的无弦周期的所有总总相位的QMC模拟将无符号问题时,QMC模拟才会无符号问题。邻接矩阵是哈密顿量为零(模2个π)。我们使用我们的发现为非随机的,但无符号问题的构造提供了构造,因此也可以进行QMC模拟的量子多体模型。我们还证明了为什么使用随机化的哈密顿量的QMC权重对真正的符号问题模型进行模拟通常不是最佳的。我们提供了一个更好的选择。
更新日期:2021-04-29
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