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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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Showing 2023 · cond-mat.mtrl-sciShow all

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cond-mat.mtrl-sci2023★ 87 cited

How to verify the precision of density-functional-theory implementations via reproducible and universal workflows

Emanuele Bosoni, Louis Beal, Marnik Bercx +42

In the past decades many density-functional theory methods and codes adopting periodic boundary conditions have been developed and are now extensively used in condensed matter phys…