Density Functional Theory Overview - 2023 Virtual Winter School in Computational Chemistry

Density Functional Theory Overview - 2023 Virtual Winter School in Computational Chemistry

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Dispersion

5 of 18

5 of 18

Dispersion

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Density Functional Theory Overview - 2023 Virtual Winter School in Computational Chemistry

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  1. 1 Introduction
  2. 2 Density Functional Theory
  3. 3 Jacobs Ladder
  4. 4 Delocalization
  5. 5 Dispersion
  6. 6 Functional Design
  7. 7 Combinatorial Design
  8. 8 Survival is the most transferable
  9. 9 Data categories
  10. 10 Ingredients
  11. 11 Outcome
  12. 12 How it was done
  13. 13 The combinatorial search
  14. 14 Numerical performance
  15. 15 Group data
  16. 16 Conclusion
  17. 17 Failure Modes
  18. 18 Questions

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