19 citations · 21 across the 5 of their papers we have counts for
5 papers
Functional and Density-Driven Errors in Density Functional Theory: Quantum Monte Carlo Benchmarks for Solids
Ayoub Aouina, Nicolas Tancogne-Dejean, Silvana Botti
We introduce a systematic analysis of density functional approximation errors in solids by separating functional-driven from density-driven contributions using quantum Monte Carlo…
Designing explicit functionals for the charge density in terms of a potential
Muhammed H. Güneş, Ayoub Aouina, Vitaly Gorelov +2
One of the most powerful strategies to address properties of real many-body systems is to incorporate data obtained for models, for example, to use data of the homogeneous electron…
Accurate Kohn-Sham auxiliary system from the ground state density of solids
Ayoub Aouina, Matteo Gatti, Siyuan Chen +2
The Kohn-Sham (KS) system is an auxiliary system whose effective potential is unknown in most cases. It is in principle determined by the ground state density, and it has been foun…
Strategies to build functionals of the density, or functionals of Green's functions: what can we learn?
Ayoub Aouina, Matteo Gatti, Lucia Reining
The many-body problem can in general not be solved exactly, and one of the most prominent approximations is to build perturbation expansions. A huge variety of expansions is possib…
Re-using model results to determine materials properties: connector theory approach
Marco Vanzini, Ayoub Aouina, Martin Panholzer +2
Computational materials design often profits from the fact that some complicated contributions are not calculated for the real material, but replaced by results of models. We turn…