8 citations · 8 across the 2 of their papers we have counts for
3 papers
Predicting core-level X-ray photoemission spectra of oxide surfaces from first principles -- a case study for SnO
Wenxuan Cai, Stefan Kucharski, Chris Blackman +2
X-ray photoemission spectroscopy (XPS) is a powerful technique to gain insight into the chemical properties of oxide surfaces. However, the interpretation of XPS spectra is notorio…
Roadmap on Advancements of the FHI-aims Software Package
Joseph W. Abbott, Carlos Mera Acosta, Alaa Akkoush +203
Electronic-structure theory is the foundation of the description of materials including multiscale modeling of their properties and functions. Obviously, without sufficient accurac…
Does the total energy difference method for modelling core level photoemission fail for bigger molecules?
Marta Berholts, Tanel Käämbre, Arvo Tõnisoo +3
The -Self-Consistent-Field (SCF) method permits calculations of core electron binding energies in materials and molecules at a modest computational cost. However, it has be…