Multielectron wave-packet propagation for electron dynamics following ionization: Basics and explicit applications

An ab initio method for multielectron wave-packet propagation is presented. It gives the possibility to describe fully ab initio the dynamics of various de-excitation processes taking into account all electrons of the system and their correlation. The approach is equally suitable for tracing in real time and space the electron dynamics of both decaying and non-decaying electronic states. As an example for electron dynamics of non-decaying states, the charge migration solely driven by electron correlation and relaxation is studied. The method is also utilized for tracing in time and space the the evolution of the electronic cloud throughout the interatomic Coulombic decay (ICD) process in the rare gas cluster NeAr following Ne 2s ionization