Transferability of atomic properties and the theorem of Hohenberg and Kohn

Abstract Quantum mechanics defines the average values and the equations of motion of observables for particular regions of real space, regions which are identified with the chemical atom. These spatial regions exhibit the property that their observable averages, including their energies, are directly determined by their charge distributions. This observation suggests the operation of a regional form of the theorem of Hohenberg and Kohn. Riess and Munch have shown that this theorem applies to a finite but otherwise arbitrary subdomain of a total (bounded) domain and that the energy of an atom in a molecule is indeed determined by its charge distribution. As a corollary to their proof, it is shown that perfect transferability of an atom between systems is an unattainable limit.

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