Lecture
Electron Correlation: Theory and Methods
Related lectures (33)
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.
Linear Response and Complex Diffusivity
Explores martingale-based linear response, complex diffusivity, and Nyquist relation in stochastic systems with time-dependent perturbation.
Moller-Plesset Perturbation Theory: Energy Corrections and Wavefunction Expansion
Delves into Moller-Plesset Perturbation Theory, discussing energy corrections and wavefunction expansion in quantum chemistry.
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.
Theoretical Foundations of DFT
Explores the Hohenberg-Kohn Theorems, electron density distributions, and the variational principle in DFT.
Size Extensivity and Consistency in Quantum Chemistry
Explores size extensivity and consistency in quantum chemistry, post-Hartree-Fock methods, and perturbed wavefunction expansion.
Q&A Session: Written Exam Details and Electronic Structure Methods
Covers written exam details and electronic structure methods for computational chemistry.
DFT Kohn-Sham formalism and Exchange correlation functionals
Introduces the DFT Kohn-Sham formalism, exchange-correlation functionals, and their performance in approximating nonuniform systems.