Tracking chirality in photoelectron circular dichroism

Abstract

In photoelectron circular dichroism (PECD) it is generally difficult to trace how and when the chirality of the molecule is imprinted onto the photoelectron. We present simulations of PECD in a simple model and employ chirality measures to establish a quantitative connection between the chirality of the potential, the electronic wave function's chirality, and the anisotropy of the photoelectron distribution. We show that these measures are suitable indicators for chirality, paving the way for tracking the chiral evolution from the nuclear scaffold to the final observable.