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Accurate and efficient computation of the fundamental bandgap of the vacancy-...
Metal halide perovskites (MHPs) demonstrate an exceptional combination of properties. Rapid progress has extended their application beyond solar cells, light-emitting diodes,... -
Bloch's theorem in orbital-density-dependent functionals: Band structures fro...
Koopmans-compliant functionals provide an orbital-density-dependent framework for an accurate evaluation of spectral properties; they are obtained by imposing a generalized... -
Bloch's theorem in orbital-density-dependent functionals: band structures fro...
Koopmans-compliant functionals provide a novel orbital-density-dependent framework for an accurate evaluation of spectral properties; they are obtained by imposing a generalized...
