Elements of Electronic Structure Calculations - HF and DFT - IPAM at UCLA

Elements of Electronic Structure Calculations - HF and DFT - IPAM at UCLA

Institute for Pure & Applied Mathematics (IPAM) via YouTube Direct link

Basic problem

2 of 14

2 of 14

Basic problem

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Elements of Electronic Structure Calculations - HF and DFT - IPAM at UCLA

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  1. 1 Intro
  2. 2 Basic problem
  3. 3 Basic Electronic Structure Problem
  4. 4 Dominance of ground-state energy
  5. 5 Single-particle basis sets
  6. 6 Performance
  7. 7 Modern quantum chemistry
  8. 8 Quantum Monte Carlo
  9. 9 Green's function approaches
  10. 10 Hohenberg-Kohn theorems (1964)
  11. 11 Cool DFT applications
  12. 12 Orbital-free DFT
  13. 13 Time-dependent DFT
  14. 14 Delocalization error

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