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20172025
most citedRoadmap on Electronic Structure Codes in the Exascale Era

74 citations · 231 across the 10 of their papers we have counts for

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cond-mat.mtrl-sci2017★ 63 cited

First-Principles Supercell Calculations of Small Polarons with Proper Account for Long-Range Polarization Effects

Sebastian Kokott, Sergey V Levchenko, Patrick Rinke +1

We present a density functional theory (DFT) based supercell approach for modeling small polarons with proper account for the long-range elastic response of the material. Our analy…