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Showing 1 to 1 of 1 for “"cluster averaging method"”.
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TDDFT calculations for excitation spectra of solids and superstructures utilizing mGGA
… switches. We adopted the TDDFT theory and the cluster averaging method to compute the spectra of III-V ternary alloys with arbitrary concentration x. We find great agreement between theoretical and experimental data. The success of this method is mainly because that we approximate the …