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J fe co ni - PowerPoint PPT Presentation

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Introduction to LDA+U method and applications to transition-metal oxides: Importance of on-site Coulomb interaction U. ??? ?????? ( ???? ) 28 Aug, 2003, ????. Outline. DFT, LDA (LDA, LSDA, GGA) Insufficiencies of LDA How to improve LDA Self-interaction correction (SIC) LDA+U method

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J fe co ni - PowerPoint PPT Presentation

??? ?????? ( ???? ) 28 Aug, 2003, ????