nanoHUB-U: From Atoms to Materials: Predictive Theory and Simulations

nanoHUB-U: From Atoms to Materials: Predictive Theory and Simulations

Offering: 01a Section: Self-Paced

Video
  • Lecture 5.3: Density Functional Theory 1. Lecture 5.3: Density Functiona… 0
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  • How QM works 2. How QM works 40.44044044044044
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  • Electron density 3. Electron density 380.64731398064731
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  • External potential and electronic density 4. External potential and electro… 557.12379045712385
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  • Hohenberg-Kohn theorem: proof 5. Hohenberg-Kohn theorem: proof 755.22188855522188
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  • Hohenberg-Kohn theorem: proof 6. Hohenberg-Kohn theorem: proof 890.39039039039039
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  • Hohenberg-Kohn theorem 7. Hohenberg-Kohn theorem 1068.1348014681348
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  • Hohenberg Kohn: summary 8. Hohenberg Kohn: summary 1113.5802469135804
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  • DFT: Kohn-Sham equations 9. DFT: Kohn-Sham equations 1225.9259259259259
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  • Kohn-Sham equations 10. Kohn-Sham equations 1514.3810477143811
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  • Exchange and correlation functionals 11. Exchange and correlation funct… 1676.9102435769103
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  • Additional reading 12. Additional reading 1969.86986986987
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  • Additional online resources @ nanoHUB.org 13. Additional online resources @ … 2032.3656990323657
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L5.3: Case Studies - Density Functional Theory

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