Oct 1 |
Introduction. Many body problem. One body problem. Periodic potentials. Plane wave representation. Oct 5 Muffin tin potential. E-dep. radial functions. Logarithmic derivitives. Oct 8 Symmetry & plane waves: Stars. More log derivatives. Oct 12 Pseudopotentials: speicification and Fourier transform.. Oct 15 Lowdin perturbation theory & downfolding. Log derivatives in LMTO. Oct 20 Plane wave pseudopotential theory continued. Oct 22 Hartree-Fock approximation. Electron gas. Oct 27 Density functional theory. Basic theorems. Kohn-Sham theory. LDA. Oct 29 DFT, continued. Beyond LDA. Exact expressions. Nov 3 APW: Augmented Plane Wave Basis. Relation to plane waves. Matching of the wavefunction. Nov 5 APW --> LAPW. Full potential. Nov 10 Tight Binding theory. Slater-Koster method. Nov 12 Tight binding, redux. Nov 17 Symmetry. Symmetrizing the density. Lattice harmonics. Nov 19 Convergence: mixing schemes. Linear, Andersen, Broyden. Nov 24 Nov 26 Thanksgiving Day. Dec 1
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Dec 10
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