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cond-mat.mtrl-sci2025
Accurate atomic correlation and total energies for correlation consistent effective core potentials II: Rb-Xe elements
Aqsa Shaikh, Omar Madany, Benjamin Kincaid +1
We employ correlation-consistent effective core potentials (ccECPs) to perform exact or nearly exact correlation and total energy calculations for the fifth-row elements (Rb-Xe). T…
cond-mat.mtrl-sci2025
A new generation of effective core potentials: Selected lanthanides and heavy elements II
Omar Madany, Benjamin Kincaid, Aqsa Shaikh +2
We present a new set of correlation-consistent effective core potentials (ccECPs) for selected heavy , , , and -block elements significant in materials science and chem…
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…