用于关联多体动力学的多组态混合量子-经典方法
Multiconfigurational Mixed Quantum-Classical Approach for Correlated Many-Body Dynamics
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中文总结 AI 辅助
介绍用于模拟有限温度关联多激子动力学的多组态混合量子-经典方法，该方法中激子用多组态波函数描述、声子准经典演化，模拟多激子耗散系统，发现平均场方法不足，平均场路径近似可有效捕获空间相关性。
中文摘要 AI 辅助
在这项工作中，我们引入一种多组态混合量子-经典多体方法，用于模拟在声子诱导的静态和动态无序存在下的有限温度关联多激子动力学。在这种混合量子-经典方法中，激子子系统使用超出平均场极限的多组态波函数来描述，而声子则准经典地演化。利用此方法，我们模拟了一个多激子耗散系统，并展示了声子诱导的动态无序与激子-激子多体相互作用之间的相互作用如何决定依赖于激发的激子输运和空间相关性。我们的结果表明，虽然平均场方法产生半定量准确的扩散动力学，但它没有如预期那样捕捉到空间相关性。我们发现一种平均场路径近似，即使用我们的平均场混合量子-经典方法生成预先计算的轨迹，然后进行多组态动力学，可以很好地再现空间相关性，将此方法定位为捕获复杂系统中空间相关性的有效方法。
英文摘要
In this work, we introduce a multiconfigurational mixed quantum-classical many-body approach for simulating the finite-temperature correlated multi-exciton dynamics in the presence of phonon-induced static and dynamic disorder. In this mixed quantum-classical approach, the excitonic subsystem is described using a multiconfigurational wavefunction that extends beyond the mean-field limit, while the phonons are evolved quasi-classically. Using this approach, we simulate a multi-excitonic dissipative system and show how the interplay between phonon-induced dynamic disorder and exciton-exciton many-body interactions determines excitation-dependent excitonic transport and spatial correlations. Our results show that while the mean-field approach produces semi-quantitatively accurate diffusive dynamics, it does not capture the spatial correlations as expected. We find that a mean-field path approximation, where we generate pre-computed trajectories using our mean-field mixed quantum-classical approach and then perform multiconfigurational dynamics, can reproduce the spatial correlations to a good accuracy, positioning this approach as an efficient method for capturing spatial correlations in complex systems.
