Benchmarking Core Excitations
High level quantum mechanical calculations produce a benchmark dataset of 1s core levels for organic molecules
The GW Green's function method has become a popular tool to compute valence excitations for a wide range of substances and materials. In this article, we test the GW method on X-ray photoelectron spectra. We present a benchmark study for 65 molecular 1s excitations. Our absolute and relative GW core-level binding energies agree within 0.3 and 0.2 eV with experiment, respectively. More information can be found in
, D. Golze, L, Keller, and P. Rinke, J. Phys. Chem. Lett. 11, 1840 (2020)
Read more news
Aalto computer scientists in STOC 2025
Two papers from Aalto Department of Computer Science were accepted to the Symposium on Theory of Computing (STOC).
New Academy Research Fellows and Academy Projects
A total of 44 Aalto researchers received Academy Research Fellowship and Academy Project funding from the Research Council of Finland – congratulations to all!
Aalto University's Wood Studio's future visions of Finland's most valuable wood are presented at the Finnish Forest Museum Lusto
Curly birch – the tree pressed by the devil – exhibition will be on display in Lusto until March 15, 2026.