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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 provides a detailed walkthrough of the implementation of the Hartree-Fock equations for the HeH+ molecule. Starting from the molecular Schrodinger equation, the lecture covers the theory, terms, orbitals construction, contracted Gaussian functions, and the self-consistent field calculation process.
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