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physics.comp-ph2024★ 5 cited
Facilities and practices for linear response Hubbard parameters U and J in Abinit
Lórien MacEnulty, Matteo Giantomassi, Bernard Amadon +2
Members of the DFT+U family of functionals are increasingly prevalent methods of addressing errors intrinsic to (semi-) local exchange-correlation functionals at minimum computatio…
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…