论文标题
使用二二维电子光谱计算非线性响应函数，使用二元非马克维亚量子态扩散
Calculating non-linear response functions for multi-dimensional electronic spectroscopy using dyadic non-Markovian quantum state diffusion
论文作者
论文摘要
我们提出了一种方法，用于模拟分子聚集体的多维电子光谱，并使用随机的非马克维亚量子态扩散（NMQSD）方法将电子激发偶联到结构化环境中，并将其与扰动理论结合使用。我们方法的一个关键方面是，我们在Hilbert Space的加倍系统中传播NMQSD方程，但具有相同的噪音。我们证明，我们的方法相对于随机轨迹的数量显示了快速收敛性，这为大分子聚集体的二维光谱提供了有希望的技术。
We present a methodology for simulating multi-dimensional electronic spectra of molecular aggregates with coupling of electronic excitation to a structured environment using the stochastic non-Markovian quantum state diffusion (NMQSD) method in combination with perturbation theory for the response functions. A crucial aspect of our approach is that we propagate the NMQSD equation in a doubled system Hilbert space, but with the same noise. We demonstrate that our approach shows fast convergence with respect to the number of stochastic trajectories, providing a promising technique for numerical calculation of two-dimensional spectra of large molecular aggregates.
