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20142026
most citedHigh-throughput determination of Hubbard U and Hund J values for transition metal oxides via linear response formalism

101 citations · 304 across the 17 of their papers we have counts for

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Showing 2019Show all

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cond-mat.str-el2019

ONETEP + TOSCAM: uniting dynamical mean field theory and linear-scaling density functional theory

Edward B. Linscott, Daniel J. Cole, Nicholas D. M. Hine +2

We introduce the unification of dynamical mean field theory (DMFT) and linear-scaling density functional theory (DFT), as recently implemented in ONETEP, a linear-scaling DFT packa…