Theoretical Foundations of DFT

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Related lectures (27)

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Configuration Interaction II: Correlation Energy and CSF's

Explores the calculation of correlation energy and CSF's in electronic structure calculations.

Hartree-Fock: Roothan Equations

Covers the Hartree-Fock Roothaan Equations and different types of Hartree-Fock methods, discussing their performance.

Configuration Interaction II: Slater-Condon Rules

Covers the Slater-Condon rules for configuration interaction and determinants.

Basis Sets I

Explores the solution of the Schrödinger equation for many-electron systems using basis sets and the concept of basis functions.

Moller-Plesset Perturbation Theory: Energy Corrections and Wavefunction Expansion

Delves into Moller-Plesset Perturbation Theory, discussing energy corrections and wavefunction expansion in quantum chemistry.

DFT: Thomas-Fermi model

Explores the Thomas-Fermi model in Density Functional Theory, discussing electron-electron interaction approximation and challenges in expressing kinetic energy.

Proof of Weyl's Theorem

Explores the proof of Weyl's theorem, focusing on discrete spectrum, ground states, and potential energy continuity.

Variational Principle: Quantum Physics II

Covers the variational principle in quantum physics for approximating energy levels.

Topology of Riemann Surfaces

Covers the topology of Riemann surfaces and the concept of triangulation using finitely many triangles.

Density Functional Theory

Covers the Density Functional Theory, including the Hartree-Fock method and the Kohn-Sham scheme.