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cond-mat.mtrl-sci2026
A Unified Dielectric-Dependent Hybrid Functional for Accurate Band Gaps across Dimensions
Subrata Jana, Manoar Hossain, Arghya Ghosh +3
Predicting fundamental band gaps across material classes and dimensionalities remains a central challenge in electronic-structure theory. Here, we show that intrinsic dielectric sc…
cond-mat.mtrl-sci2026
An exciting approach to theoretical spectroscopy
Martí Raya-Moreno, Alexander Buccheri, Noah Alexy Dasch +27
Theoretical spectroscopy, and more generally, electronic-structure theory, are powerful concepts for describing the complex many-body interactions in materials. They comprise a var…