发表机构
University of California, Berkeley; Flatiron Institute; Lawrence Berkeley National Laboratory; California Institute of Technology(加州大学伯克利分校; 平顿研究所; 劳伦斯伯克利国家实验室; 加州理工学院)
机构由 AI 辅助整理,请以论文原文为准。AI 中文总结
针对非马尔可夫量子输运模拟中每个位点需独立浴轨道的瓶颈,提出随机相位算法(SPA),用共享浴加随机相位替代局域高斯浴,证明误差随R^{-1}下降,并实现大晶格上的高效精确模拟。
AI 中文摘要
非马尔可夫量子输运的精确模拟仍局限于小系统,其关键瓶颈在于每个系统位点都需要一组独立的量子浴轨道。我们引入了随机相位算法(SPA),该算法用R个共享量子浴(带有随机的位点依赖相位)取代单准粒子Holstein模型中的独立局域高斯浴。我们证明,对于任意R,相位平均都能重现目标的两点浴关联矩阵,而增加R则会系统地抑制来自高阶跨位点关联的误差。我们得到了一个固定时间的O(R^{-1})迹范数误差界,其前因子与系统尺寸和连通性无关。这种空间压缩直接适用于幺正浴,并可结合耦合Lindblad谱压缩[Phys. Rev. Lett. 136, 090403 (2026)],后者通过少量耦合、阻尼的量子模式来表示每个共享环境,这些模式在模拟窗口内拟合其热浴关联。数值上,SPA在3×3晶格上收敛于直接幺正基准,能够在100×100晶格上实现全态矢量量子浴动力学,并且当R=1时,能紧密再现细菌叶绿素聚集体中激子布居和并五苯中载流子迁移率的近精确基准结果。
英文摘要
Accurate simulations of non-Markovian quantum transport remain limited to small systems, and a key bottleneck is that each system site requires an independent set of quantum bath orbitals. We introduce the Stochastic Phase Algorithm (SPA), which replaces the independent local Gaussian baths in single-quasiparticle Holstein models by $R$ shared quantum baths with stochastic site-dependent phases. We prove that phase averaging reproduces the target two-point bath correlation matrix for every $R$, while increasing $R$ systematically suppresses errors from higher-order cross-site correlations. We obtain a fixed-time $O(R^{-1})$ trace-norm error bound with a prefactor independent of system size and connectivity. This spatial compression applies directly to unitary baths and can be combined with coupled-Lindblad spectral compression [Phys. Rev. Lett. 136, 090403 (2026)], which represents each shared environment by a very small number of coupled, damped quantum modes fitted to its thermal bath correlation over the simulation window. Numerically, SPA converges against direct unitary benchmarks on a $3\times3$ lattice, enables full-state-vector quantum-bath dynamics on a $100\times100$ lattice, and, with $R=1$, closely reproduces near exact benchmarks for exciton populations in bacteriochlorophyll aggregates and carrier mobility in rubrene.