201 citations · 233 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…
Calculating optical absorption spectra of thin polycrystalline films: Structural disorder and site-dependent van der Waals interaction
Jörg Megow, Thomas Körzdörfer, Thomas Renger +4
We propose a new approach for calculating the change of the absorption spectrum of a molecule when moved from the gas phase to a crystalline morphology. The so-called gas-to-crysta…
A Benchmark of GW Methods for Azabenzenes: Is the GW Approximation Good Enough?
Noa Marom, Fabio Caruso, Xinguo Ren +6
Many-body perturbation theory in the GW approximation is a useful method for describing electronic properties associated with charged excitations. A hierarchy of GW methods exists,…