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20232026
most citedLow-scaling \textit{GW} calculations of quasi-particle energies for extended systems within the numerical atomic orbital framework

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cond-mat.mtrl-sci2023

Developing correlation-consistent numeric atom-centered orbital basis sets for Krypton: Applications in RPA-based correlated calculations

Sixian Yang, Igor Ying Zhang, Xinguo Ren

Localized atomic orbitals are the preferred basis-set choice for large-scale explicit correlated calculations, and high-quality hierarchical correlation-consistent basis sets are a…