Attosecond electron hole dynamics in molecules

x射线自由电子激光器（FELs）是强相干x射线的来源，最近已经突破了阿秒屏障，现在能够产生短于1飞秒的脉冲。在这个博士项目中，我们将设计和模拟量子力学的新方法来测量原子和分子在x射线FELs照射下的阿秒多电子动力学，特别关注电子空穴的量子演化。我们还预测在电离原子和分子中发生的新的超快物理现象。这个博士项目将涉及空穴迁移的阿秒光谱理论建模，这是一种由阿秒激光脉冲产生的电子空穴在多原子分子中移动的壮观效果。这项工作将与帝国理工学院（Marangos, Frasinski）和斯坦福大学LCLS x射线FEL设施的实验团队合作完成，在那里，高度竞争的光束时间已被分配给我们团队在2021年初进行的空穴迁移实验。在这个博士项目中，学生将在多体量子力学，数值方法，数值算法编码，高性能计算（并行计算，可选-数据流计算）方面进行训练。

X-ray free electron lasers (FELs) are sources of intense coherent X-rays that have very recently broken the attosecond barrier and are now able to generate pulses shorter than 1 femtosecond. Within this PhD project, we will devise and simulate quantum mechanically the new ways to measure attosecond many-electron dynamics in atoms and molecules irradiated by X-ray FELs, focussing especially on the quantum evolution of electron holes. We are also predicting new ultrafast physical phenomena occurring in ionised atoms and molecules. This PhD project will involve theoretical modelling of attosecond spectroscopies of hole migration - a spectacular effect where electron hole created by an attosecond laser pulse moves across a polyatomic molecule. The work will be done in collaboration with the experimental team at Imperial (Marangos, Frasinski) and at the LCLS X-ray FEL facility at Stanford, where the highly competitive beamtime has been allocated to the hole migration experiments of our team in the beginning of 2021. During this PhD project, the student will be trained in many-body quantum mechanics, numerical methods, coding of numerical algorithms, high performance computing (parallel computing, optionally - dataflow computing).