2 papers
cond-mat.str-el2025
Two-legged approximation for building non-empirical hybrids and analyzing correlation at finite temperature
Brittany P. Harding, Francisca Sagredo, Vincent Martinetto +1
Warm dense matter is a highly energetic phase characterized by strong correlations, thermal effects, and quantum effects of electrons. Thermal density functional theory is commonly…
cond-mat.mtrl-sci2025
The reliability of hybrid functionals for accurate fundamental and optical gap prediction of bulk solids and surfaces
Francisca Sagredo, MarÃa Camarasa-Gómez, Francesco Ricci +3
Hybrid functionals have been considered insufficiently reliable for the prediction of band gaps in solids and surfaces. We revisit this issue with a new generation of optimally-tun…