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20232026
most citedOptical absorption spectra of metal oxides from time-dependent density functional theory and many-body perturbation theory based on optimally-tuned hybrid functionals

23 citations · 38 across the 5 of their papers we have counts for

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cond-mat.mtrl-sci2025★ 10 cited

The reliability of hybrid functionals for accurate fundamental and optical gap prediction of bulk solids and surfaces

Francisca Sagredo, María 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…

cond-mat.mtrl-sci2025

Resolving Contradictory Estimates of Band Gaps of Bulk PdSe: A Wannier-Localized Optimally-Tuned Screened Range-Separated Hybrid Density Functional Theory Study

Fred Florio, María Camarasa-Gómez, Guy Ohad +3

Palladium diselenide (PdSe) -- a layered van der Waals material -- is attracting significant attention for optoelectronics due to the wide tunability of its band gap from the i…