11 citations · 19 across the 3 of their papers we have counts for
3 papers
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…
Interpreting Ultrafast Electron Transfer on Surfaces with a Converged First-Principles Newns-Anderson Chemisorption Function
Simiam Ghan, Elias Diesen, Christian Kunkel +2
We study the electronic coupling between an adsorbate and a metal surface by calculating tunneling matrix elements H directly from first principles. For this we emplo…
Interfacial charge transfer influences thin-film polymorphism
Fabio Calcinelli, Andreas Jeindl, Lukas Hörmann +3
The structure and chemical composition are the key parameters influencing the properties of organic thin films deposited on inorganic substrates. Such films often display structure…