Question

When deriving the Hartee-Fock method, we minimize the electronic energy with respect to all molecular orbitals with the constraint of orthonormality of the molecular orbitals by using the method of Lagrange multipliers. Is there a fundamental reason why the molecular orbitals need to be orthogonal? Does it ensure a lower energy compared to any non-orthogonal set of molecular orbitals?​

Answer 1

Answer:

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Answer 2

Answer:

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