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We report the electronic properties of the quadruple perovskiteCaCu$_{3}$Ti$_{4}$O$_{12}$ as obtained via several density-functional basedmethods, and propose a new interpretation of optical experiments to the effectthat four distinct transitions (centered around 0.7, 1.5, 2.5, and 3.5 eV)contribute to the spectrum. The comparison with experiment is satisfactory,especially after we account for the effects of spin disorder, which does notclose the fundamental gap but suppresses the transition intensity. We find thatsome of the methods we employ tend to overestimate considerably the gaps forstandard values of the respective adjustable parameters.

Multi-gap absorption in CaCu$_{3}$Ti$_{4}$O$_{12}$ and the predictivity of ab initio methods