V r is the correlation potential for the I-th quantum nucleus. Note that there is no nuclear exchange within CNEO because of the distinguishible nucleus assumption and nuclear self-Coulomb is explicitly excluded. The Lagrange multiplier I f needs to be solved iteratively together with electronic and nuclear orbitals, subject to the geometric constraints on quantum nuclear expectation positions via Equation ( ). The converged orbitals can be subsequently used to evaluate the multicomponent energies as a function of both classical and quantum nuclear positions, leading to quantum-corrected effective potential energy surfaces.