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Onsite and intersite electronic correlations in the Hubbard model for halide ...
Halide perovskites (HPs) are widely viewed as promising photovoltaic and light-emitting materials for their suitable band gaps in the visible spectrum. Density functional theory... -
Adjustable potential probes for band-gap predictions of extended systems thro...
We describe a nonempirical procedure for achieving accurate band gaps of extended systems through the insertion of suitably defined potential probes. By enforcing Koopmans'...
