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PARATEC and the Generation of the Empty States (Starting point for GW/BSE)

PARATEC and the Generation of the Empty States (Starting point for GW/BSE) . Andrew Canning Computational Research Division, LBNL and Chemical Engineering and Materials Science Dept. UC Davis. . GW/BSE Method Overview. DFT Kohn-Sham (SCF and NSCF) {? DFT nk ( r ), E DFT nk }

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Lda gga equations - PowerPoint PPT Presentation

PARATEC and the Generation of the Empty States (Starting point for GW/BSE)