8 citations · 8 across the 1 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…
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…
Efficient structural relaxation based on the random phase approximation: Applications to the water clusters
Muhammad N. Tahir, Honghui Shang, Jia Li +1
We report an improved implementation for evaluating the analytical gradients of the random phase approximation (RPA) electron-correlation energy based on atomic orbitals and the lo…