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Density Functionals: Basic DFT Theory

Density Functionals: Basic DFT Theory. Sergio Aragon San Francisco State University CalTech PASI January 4-16, 2004. DFT Publications. Outline. Wavefunction methods: Hartree-Fock To know ground state E, what else do we need to know? Electron Density. Basic DFT Theorems Kohn-Sham Equations

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Ks orbitals - PowerPoint PPT Presentation

Density Functionals: Basic DFT Theory