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Density functional theory (DFT) and the concepts of the augmented-plane-wave plus local orbitals (APW+lo) method

Density functional theory (DFT) and the concepts of the augmented-plane-wave plus local orbitals (APW+lo) method. Karlheinz Schwarz Institute of Materials Chemistry TU Wien. Walter Kohn and DFT. DFT Density Functional Theory. Hohenberg-Kohn theorem.

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Electronic structure e ti - PowerPoint PPT Presentation

Density functional theory (DFT) and the concepts of the augmented-plane-wave plus local orbitals (APW+lo) method