1.4k citations · 5.8k across the 15 of their papers we have counts for
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Multiplets Matter: The Electronic Structure of Rare-Earth Semiconductors and Semimetals
Leonid V. Pourovskii, Kris T. Delaney, Chris G. Van de Walle +2
We demonstrate that a theoretical framework fully incorporating intra-atomic correlations and multiplet structure of the localized 4f states is required in order to capture the ess…
Towards a microscopic theory of toroidal moments in bulk periodic crystals
Claude Ederer, Nicola A. Spaldin
We present a theoretical analysis of magnetic toroidal moments in periodic systems, in the limit in which the toroidal moments are caused by a time and space reversal symmetry brea…
Mott Transition of MnO under Pressure: Comparison of Correlated Band Theories
Deepa Kasinathan, J. Kunes, K. Koepernik +8
The electronic structure, magnetic moment, and volume collapse of MnO under pressure are obtained from four different correlated band theory methods; local density approximation +…