2 papers
cond-mat.mtrl-sci2026
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…
physics.chem-ph2025
Analytical gradients of random-phase approximation plus corrections from renormalized single excitations
Muhammad N. Tahir, Honghui Shang, Xinguo Ren
The random-phase approximation (RPA) formulated within the adiabatic connection fluctuation-dissipation framework is a powerful approach to compute the ground-state energies and pr…