most citedCorrelation consistent effective core potentials for late 3d transition metals adapted for plane wave calculations

11 citations · 11 across the 2 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…

cond-mat.mtrl-sci2022★ 11 cited

Correlation consistent effective core potentials for late 3d transition metals adapted for plane wave calculations

Benjamin Kincaid, Guangming Wang, Haihan Zhou +1

We construct a new modification of correlation consistent effective potentials (ccECPs) for late elements Cr-Zn with Ne-core that are adapted for efficiency and low energy cut…