most citedA new generation of effective core potentials: Selected lanthanides and heavy elements II

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cond-mat.mtrl-sci2026

Accurate Atomic Correlation Energies and Virial Trends for Correlation-Consistent Effective Core Potentials III: Quantitative Separation of Fixed-Node Biases and Localization Errors in Cs-Rn

Omar Madany, Lubos Mitas

Atomic benchmarks for sixth-period elements (Cs-Rn) are established to sub-millihartree precision under correlation-consistent effective core potentials (ccECPs) using coupled-clus…

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★ 2 cited

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…