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arXiv 2511.05282quant-phphysics.chem-ph

开放的量子-经典系统:一种混合的MASH主方程

Open quantum-classical systems: A hybrid MASH master equation

Kasra Asnaashari, Jeremy O. Richardson

AI总结:

本文提出结合量子-经典映射表面跃迁(MASH)与Lindblad主方程的耗散量子动力学方法,通过随机量子轨迹模拟开放量子系统与马尔可夫量子浴及非马尔可夫经典自由度的耦合。

摘要:

我们提出一种方法,将量子-经典映射表面跃迁(MASH)与Lindblad主方程的耗散量子动力学相结合。与传统表面跃迁方法类似,我们的方法基于经典轨迹与量子子系统的动力学耦合。然而,我们不根据时间依赖的薛定谔方程演化子系统的波函数,而是使用源自 secular Redfield 理论的随机量子轨迹。这使我们能够模拟同时耦合到马尔可夫量子浴和非马尔可夫经典自由度的开放量子系统。对自旋-玻色子模型和增强腔体荧光的电子非绝热分子的应用显示出与完全量子力学基准的良好一致。

英文摘要:

We propose a method which combines the quantum-classical mapping approach to surface hopping (MASH) with the dissipative quantum dynamics of the Lindblad master equation. Like conventional surface-hopping methods, our approach is based on classical trajectories coupled to the dynamics of a quantum subsystem. However, instead of evolving the subsystem wavefunction according to the time-dependent Schrödinger equation, we use stochastic quantum trajectories derived from secular Redfield theory. This enables the simulation of open quantum systems coupled simultaneously to Markovian quantum baths and anharmonic non-Markovian classical degrees of freedom. Applications to the spin--boson model and to the cavity-enhanced fluorescence of an electronically nonadiabatic molecule show excellent agreement with fully quantum-mechanical benchmarks.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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