QM/MM Hybrid Methods

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Explores advanced Python programming concepts, focusing on list comprehensions and higher order functions.

Covers the method of Lagrange multipliers to find extrema subject to constraints.

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Covers the implementation of Hartree-Fock equations for HeH+ molecule, including theory, terms, orbitals, and self-consistent field calculation.

Covers the Galerkin method in the Finite Element Method for solving non-homogeneous Dirichlet problems.

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