97 citations · 1.1k across the 39 of their papers we have counts for
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cond-mat.mtrl-sci2025★ 8 cited
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
Accurate extrapolation of MP2 correlation energies for small correlation-consistent core-valence basis sets
E. Fabiano, F. Della Sala
The Atom-Calibrated Basis-set Extrapolation (ACBE) method is introduced as a robust approach for extrapolating MP2 correlation energies from small basis sets. Unlike conventional e…