“Know how to solve every problem that has been solved.” “What I cannot create, I do not understand.” — Richard Feynman

Derive the Fock Equations

Exercises

Quantum Chemistry I › Unit 7 · The Fock problem

Derive the Fock Equations

Constrained functional variation: minimize the orbital energy functional under orthonormality and earn the Fock eigenvalue equation. 9 problems, one per page — start with the worked example, then work down.

  1. 1 worked From the energy functional to the eigenvalue equation →
  2. 2 practice Calculus of variations — where the 2 comes from →
  3. 3 practice Varying the Coulomb functional →
  4. 4 practice Brillouin as a unit test →
  5. 5 practice The unitary freedom →
  6. 6 practice Why “density stopped” equals “energy stationary” →
  7. 7 practice Koopmans from the canonical equations →
  8. 8 check The FPS − SPF criterion →
  9. 9 check Multipliers vs. energies →

← The whole course problem set