2nd Hohenberg and Kohn theorem

[jmontgomery@flsouthern.edu]

The 2nd theorem does seem like a natural consequence of the 1st theorem and the variational theorem. If the expectation value of the Hamiltonian is minimized by the true wavefunction, and if there is a one-to-one mapping between Hamiltonian (external potential) and density, then the energy functional should be minimized by the density.

[Author]

Posts