Advances in modeling attosecond electron dynamics in molecular photoionization

The dramatic progress of experimental attosecond science has called for the development of new theoretical and computational tools capable of accurately model the correlated electron dynamics triggered by attosecond molecular photoionization. We describe the nature and the main outcome of this development, with particular focus on the B-spline ADC and RCS-ADC ab initio methods.This article is categorized under:Electronic Structure Theory > Ab Initio Electronic Structure MethodsSoftware > Simulation MethodsTheoretical and Physical Chemistry > Spectroscopy