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Home ยป Foundations of Density Functional Theory

Foundations of Density Functional Theory

Lecture Notes

  • Outline and introductory remarks
  • Hohenberg-Kohn and Kohn-Sham theorems
  • Comparison of Kohn-Sham and Hartree-Fock theory
  • V-representability and N-representability
  • Local density approximation (LDA)
  • Gradient expansion approximation (GEA)
  • Generalized gradient expansions (GGA's)
  • Orbital functionals: OEP method
  • Time-dependent DFT: Runge-Gross theorem
  • Linear response: Excitation energies from TDDFT

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