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Pair distribution functions
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Conditional Probability Density Functional Theory - IPAM at UCLA
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- 1 Intro
- 2 Outline
- 3 Three recent papers from us
- 4 A different approach to electronic structure
- 5 Usual notation
- 6 Conditional probabilities and holes
- 7 Hohenberg-Kohn map
- 8 Conditional probability potential
- 9 Approximate CP-KS potential
- 10 Intuitive motivation: quantum
- 11 Motivation: classical
- 12 Ground-state uniform gas
- 13 Problems with high density limit
- 14 Hooke's atom
- 15 Hydrogen dimer dissociation
- 16 Hy energy components
- 17 Free energy of uniform gas
- 18 Error in free energy
- 19 Zero temp uniform gas
- 20 XC holes from LBEA
- 21 Failure and fix up for high densities
- 22 Spin-DFT CP calculation
- 23 Pair distribution functions
- 24 TF for uniform gas
- 25 1D exact calculations
- 26 Exact conditions
- 27 PBE Comparison at Low Temperature
- 28 Uniform Electron Gas Comparison
- 29 Nonzero Gradients
- 30 Origins and missing references
- 31 Summary
