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