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20042020
most citedFirst-principles prediction of redox potentials in transition-metal compounds with LDA+U

1.1k citations · 3.7k across the 21 of their papers we have counts for

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cond-mat.str-el2017★ 2 cited

A unified treatment of derivative discontinuity, delocalization and static correlation effects in density functional calculations

Fei Zhou, Vidvuds Ozolins

We propose a method that incorporates explicit derivative discontinuity of the total energy with respect to the number of electrons and treats both delocalization and static correl…