activity
20172022
most citedA new generation of effective core potentials from correlated and spin-orbit calculations: selected heavy elements

24 citations · 58 across the 6 of their papers we have counts for

collaborators
Showing cond-mat.mtrl-sciShow all

2 papers · 1 filter

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…

cond-mat.mtrl-sci2022★ 24 cited

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

Guangming Wang, Benjamin Kincaid, Haihan Zhou +4

We introduce new correlation consistent effective core potentials (ccECPs) for the elements I, Te, Bi, Ag, Au, Pd, Ir, Mo, and W with , , and valence spaces. Thes…