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19992023
most citedImplementation of the LDA+U method using the full potential linearized augmented plane wave basis

304 citations · 2.4k across the 44 of their papers we have counts for

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cond-mat.mtrl-sci2018★ 16 cited

The role of non-spherical double counting in DFT+DMFT: total energy and structural optimization of pnictide superconductors

Oleg Kristanovski, Alexander Shick, Frank Lechermann +1

A simple scheme for avoiding non-spherical double counting in the combination of density func- tional theory with dynamical mean-field theory (DFT+DMFT)is developed. It is applied…