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20072026
most citedMaximally localized Wannier functions in LaMnO3 within PBE+U, hybrid functionals, and partially self-consistent GW: an efficient route to construct ab-initio tight-binding parameters for e_g perovskites

154 citations · 879 across the 23 of their papers we have counts for

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physics.chem-ph2026

Excited States from Restricted Open Shell Plane-Wave DFT

Michael J. Sahre, Marco Romanelli, Martijn Marsman +2

Variational excited-state density functional theory (DFT) enables the calculation of excited states at a cost comparable to ground-state calculations, but single-configuration appr…