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Showing 1 to 1 of 1 for “"meta-generalized gradient approximation (mGGA)"”.
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TDDFT calculations for excitation spectra of solids and superstructures utilizing mGGA
… potential functional given by meta-generalized gradient approximation(mGGA). Our theoretical results were compared to WIEN2K’s, and good agreement was obtained. As the application, we apply TDDFT plus mGGA to calculate optical spectra for bulk solids. The result shows good …