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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 different types of HF methods, including RHF, ROHF, and UHF, each with specific characteristics and performance evaluations. The instructor discusses the relative good and bad performance of HF in various scenarios, such as structural properties, vibrational frequencies, and transition states. Additionally, the lecture delves into electron correlation, contrasting the chemist's and physicist's views on Ecorr. Post-Hartree-Fock methods like CI, MP, and CC are introduced as ways to enhance HF results by considering electron correlation. The discussion on correlation includes topics like the Coulomb hole, correlated motion of electrons, and the construction of a basis of Slater determinants.