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physics.chem-ph2024
Solving multi-pole challenges in the GW100 benchmark enables precise low-scaling GW calculations
Mia Schambeck, Dorothea Golze, Jan Wilhelm
The approximation is a widely used method for computing electron addition and removal energies of molecules and solids. The computational effort of conventional algorithm…
physics.comp-ph2024
Validation of the GreenX library time-frequency component for efficient GW and RPA calculations
Maryam Azizi, Jan Wilhelm, Dorothea Golze +5
Electronic structure calculations based on many-body perturbation theory (e.g. GW or the random-phase approximation (RPA)) require function evaluations in the complex time and freq…