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Lecture
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 fundamental assumptions behind standard quantum chemical electronic structure methods, the basis set superposition error, and the Hartree-Fock method. Topics include Slater determinants, basis functions, BSSE, and the SCF method. The lecture also delves into the Hartree-Fock energy expression and the justification of empirical rules like Hund's rule.