Two-dimensional electronic photon-echo spectroscopy of photosynthetic complexes

我们最近开发了新颖且特别有效的算法，用于计算复杂系统的飞秒非线性谱。在这里，我们建议以数值方式实现这些方法，用于要求更高的多原子分子激发态动力学模型（例如圆锥相交）以及附加信号的计算，例如多维二维和三脉冲光子回波光谱和红外发射。该项目包括开发用户友好的代码，该代码允许模拟多原子分子激发态动力学的各种模型的任何三阶时间和频率分辨信号。

We have recently developed novel and particularly efficient algorithms for the calculation of femtosecond nonlinear spectra of complex systems. Here, we propose to numerically implement these methods for more demanding models of the excited-state dynamics of polyatomic molecules (e.g., conical intersections) as well as for the calculation of additional signals, e.g., multidimensional two- and three-pulse photon-echo spectroscopy and infrared emission. The project includes the development of a user-friendly code which allows the simulation of any third-order time- and frequency-resolved signal for a variety of models of the excited-state dynamics of polyatomic molecules.