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ID: 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

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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 by

Codex  0 2026-10-20

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.

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