Are you an EPFL student looking for a semester project?
Work with us on data science and visualisation projects, and deploy your project as an app on top of Graph Search.
This lecture covers the Hartree-Fock method in quantum chemistry, focusing on basis sets, Slater determinants, and the Born-Oppenheimer approximation. It explains the concepts of spin contamination, self-consistent field methods, and the importance of basis set superposition error. The instructor discusses the justification of Hund's rule based on the Hartree-Fock energy expression and the different types of Hartree-Fock calculations. Practical warnings and exam details are also provided.