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20082025
most citedLocal Spin-density Approximation Exchange-correlation Free-energy Functional

244 citations · 1.5k across the 28 of their papers we have counts for

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cond-mat.mtrl-sci2021

All-Electron APW+ calculation of magnetic molecules with the SIRIUS domain-specific package

Long Zhang, Anton Kozhevnikov, Thomas Schulthess +2

We report APW+ (augmented plane wave plus local orbital) density functional theory (DFT) calculations of molecule systems using the domain specific SIRIUS multi-functional DF…