2024
DOI: 10.1021/acs.jctc.4c01309
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A General and Transferable Local Hybrid Functional for Electronic Structure Theory and Many-Fermion Approaches

Christof Holzer,
Yannick J. Franzke

Abstract: Density functional theory has become the workhorse of quantum physics, chemistry, and materials science. Within these fields, a broad range of applications needs to be covered. These applications range from solids to molecular systems, from organic to inorganic chemistry, or even from electrons to other Fermions, such as protons or muons. This is emphasized by the plethora of density functional approximations that have been developed for various cases. In this work, two new local hybrid exchange−correlation de… Show more

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