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In Density Functional Theory, the 2nd theorem of Hohenberg and Kohn states:

The electron density of the system that minimises the ground-state energy is the exact electron density of the system.

Similarly, there is also the widely-known Variational Principle in quantum chemistry which states:

The wavefunction that minimises the ground-state energy of the system is the exact ground-state wavefunction.

They seem very similar to me and I would just like to ask if there are any similarities between the two, perhaps in terms of the proofs of these two fundamental theorems.

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  • $\begingroup$ Meh, does it even take fluxional molecules into account? $\endgroup$ – Mithoron Dec 4 '18 at 1:40

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