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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-el2015★ 5 cited

Crystal field calculations for transition metal ions by application of an opposing potential

Fei Zhou, Daniel Aberg

We propose a fully ab initio method, the opposing crystal potential (OCP), to calculate the crystal field parameters of transition metal impurities in insulator hosts. Through cons…