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20112019
most citedDensity functional theory embedding for correlated wavefunctions: Improved methods for open-shell systems and transition metal complexes

116 citations · 225 across the 4 of their papers we have counts for

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cond-mat.other2011★ 87 cited

Embedded density functional theory for covalently bonded and strongly interacting subsystems

Jason D. Goodpaster, Taylor A. Barnes, Thomas F. Miller

Embedded density functional theory (e-DFT) is used to describe the electronic structure of strongly interacting molecular subsystems. We present a general implementation of the Exa…