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Band gaps of liquid water and hexagonal ice through advanced electronic-struc...
The fundamental band gaps of liquid water and hexagonal ice are calculated through advanced electronic-structure methods. We compare specifically the performance of... -
Nonempirical hybrid functionals for band gaps of inorganic metal-halide perov...
Nonempirical hybrid functionals are investigated for band-gap predictions of inorganic metal-halide perovskites belonging to the class CsBX3 , with B = Ge, Sn, Pb and X = Cl,...
