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most citedA new generation of effective core potentials from correlated and spin-orbit calculations: selected heavy elements

24 citations · 39 across the 6 of their papers we have counts for

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cond-mat.mtrl-sci2023

A new generation of effective core potentials: selected Lanthanides and heavy elements

Haihan Zhou, Benjamin Kincaid, Guangming Wang +3

We construct correlation-consistent effective core potentials (ccECPs) for a selected set of heavy atoms and f-elements that are of significant current interest in materials and ch…