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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-sci2024

Efficient structural relaxation based on the random phase approximation: Applications to the water clusters

Muhammad N. Tahir, Honghui Shang, Jia Li +1

We report an improved implementation for evaluating the analytical gradients of the random phase approximation (RPA) electron-correlation energy based on atomic orbitals and the lo…