Condensed Matter - Materials Science

Self-Interaction Error Induces Spurious Charge Transfer Artefacts in Core-Level Simulations of X-ray Photoemission and Absorption Spectroscopy of Metal-Organic Interfaces

First principles simulation of x-ray photoemission spectroscopy (XPS) is an important tool in the challenging interpretation and …

Samuel J. Hall, Benedikt P. Klein, Reinhard J. Maurer