745 citations · 3.1k across the 46 of their papers we have counts for
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Basis-set-error-free RPA correlation energies for atoms based on the Sternheimer equation
Hao Peng, Sixian Yang, Hong Jiang +2
The finite basis set errors for all-electron random-phase approximation (RPA) correlation energy calculations are analyzed for isolated atomic systems. We show that, within the res…
Localized resolution of identity approach to the analytical gradients of random-phase approximation ground-state energy: algorithm and benchmarks
Muhammad N. Tahir, Tong Zhu, Honghui Shang +3
We develop and implement a formalism which enables calculating the analytical gradients of particle-hole random-phase approximation (RPA) ground-state energy with respect to the at…
Bond Breaking and Bond Formation: How Electron Correlation is Captured in Many-Body Perturbation Theory and Density-Functional Theory
Fabio Caruso, Daniel R. Rohr, Maria Hellgren +4
For the paradigmatic case of H2-dissociation we compare state-of-the-art many-body perturbation theory (MBPT) in the GW approximation and density-functional theory (DFT) in the exa…