301 citations · 309 across the 4 of their papers we have counts for
4 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…
Solving multi-pole challenges in the GW100 benchmark enables precise low-scaling GW calculations
Mia Schambeck, Dorothea Golze, Jan Wilhelm
The approximation is a widely used method for computing electron addition and removal energies of molecules and solids. The computational effort of conventional algorithm…
Validation of the GreenX library time-frequency component for efficient GW and RPA calculations
Maryam Azizi, Jan Wilhelm, Dorothea Golze +5
Electronic structure calculations based on many-body perturbation theory (e.g. GW or the random-phase approximation (RPA)) require function evaluations in the complex time and freq…
Radial distribution function of semiflexible polymers
Jan Wilhelm, Erwin Frey
We calculate the distribution function of the end--to--end distance of a semiflexible polymer with large bending rigidity. This quantity is directly observable in experiments on si…