8 citations · 18 across the 4 of their papers we have counts for
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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…
Characterizing Molecule-Metal Surface Chemistry with Ab-Initio Simulation of X-ray Absorption and Photoemission Spectra
Samuel J. Hall, Benedikt P. Klein, Reinhard J. Maurer
X-ray photoemission and x-ray absorption spectroscopy are important techniques to characterize chemical bonding at surfaces and are often used to identify the strength and nature o…
The Nuts and Bolts of Ab-Initio Core-Hole Simulations for K-shell X-Ray Photoemission and Absorption Spectra
Benedikt Klein, Samuel J. Hall, Reinhard J. Maurer
X-ray photoemission (XPS) and Near Edge X-ray Absorption Fine Structure (NEXAFS) spectroscopy play an important role in investigating the structure and electronic structure of mate…