Modeling X-ray Photoelectron Spectroscopy of Macromolecules Using GW

Laura Galleni, Faegheh S. Sajjadian, Thierry Conard +3

We propose a simple additive approach to simulate X-ray photoelectron spectra (XPS) of macromolecules based on the $GW$ method. Single-shot $GW$ ($G_0{W}_0$) is a promising technique…