Ebert - Psi-k

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Ludwig Maximilians- Universität München Outline Introduction Green’s functions Scattering theory Angular momentum representation Calculating the scattering path operator The impurity problem Substitutional disordered alloys Relativistic formulation Combination of KKR with the DMFT Applications KKR07 – p.2/100
Ludwig Maximilians- Universität München Standard Band Structure Problem Born-Oppenheimer Approximation reduction of many-particle problem to single-particle problem e.g. via density functional theory (DFT) [ ] −⃗∇ 2 + V (⃗r) ψ(⃗r, E) = Eψ(⃗r, E) periodic potential V (⃗r) = V (⃗r + ⃗R n ) leads to the Bloch theorem T ⃗ R n ψ ⃗k (⃗r, E) = e −i⃗ k ⃗R n ψ ⃗k (⃗r, E) KKR07 – p.3/100
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