A <Hartree-Fock wavefunction> is stationary in energy with respect to all infinitesimal occupied-virtual orbital rotations, subject to orbital orthonormality. The determinant then satisfies the self-consistent Hartree-Fock equations. Stationarity alone does not guarantee that it is the lowest-energy or even a locally stable determinant.

Solution

Past exam of the chemistry course of the year 3 of the natural sciences course of the University of Cambridge / 2022 / Paper 4 / 60 / b / i / Solution

 Solution (source code)