2 papers
cond-mat.mtrl-sci2022
Benchmarking theoretical electronic structure methods with photoemission orbital tomography
Anja Haags, Xiaosheng Yang, Larissa Egger +10
In the past decade, photoemission orbital tomography (POT) has evolved into a powerful tool to investigate the electronic structure of organic molecules adsorbed on (metallic) surf…
physics.chem-ph2020
Tracing orbital images on ultrafast time scales
Robert Wallauer, Miriam Raths, Klaus Stallberg +10
Frontier orbitals, i.e., the highest occupied and lowest unoccupied orbitals of a molecule, generally determine molecular properties, such as chemical bonding and reactivities. Con…