Hohenberg–Kohn theorem

E645114

foundational result of density functional theory result in quantum mechanics theorem

The Hohenberg–Kohn theorem is a foundational result in quantum mechanics that establishes the ground-state electron density as the central quantity determining all properties of a many-electron system, forming the basis of density functional theory.

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Statements (42)

Predicate	Object
instanceOf	foundational result of density functional theory ⓘ result in quantum mechanics ⓘ theorem ⓘ
addresses	many-body problem in quantum mechanics ⓘ
appliesTo	systems of interacting electrons in an external potential ⓘ
assumes	non-degenerate ground state ⓘ
basisOf	density functional theory NERFINISHED ⓘ
category	theorems in mathematical physics ⓘ theorems in quantum mechanics ⓘ
concerns	electron density ⓘ ground state of quantum systems ⓘ many-electron systems ⓘ
contrastWith	wavefunction methods depending on 3N variables for N electrons ⓘ
dimensionOfBasicVariable	three-dimensional spatial function ⓘ
field	condensed matter physics ⓘ quantum chemistry ⓘ quantum mechanics ⓘ
firstTheoremStates	the external potential is a unique functional of the ground-state density ⓘ
hasPart	first Hohenberg–Kohn theorem NERFINISHED ⓘ second Hohenberg–Kohn theorem NERFINISHED ⓘ
implies	existence of a universal energy functional of the electron density ⓘ one-to-one correspondence between ground-state density and external potential ⓘ
motivates	search for approximate exchange–correlation functionals ⓘ
namedAfter	Pierre Hohenberg NERFINISHED ⓘ Walter Kohn NERFINISHED ⓘ
originalAuthors	Pierre Hohenberg NERFINISHED ⓘ Walter Kohn NERFINISHED ⓘ
originalPaperTitle	Inhomogeneous Electron Gas NERFINISHED ⓘ
provides	variational principle for the electron density ⓘ
publishedIn	Physical Review NERFINISHED ⓘ
relatedTo	Kohn–Sham equations NERFINISHED ⓘ Schrödinger equation NERFINISHED ⓘ variational principle ⓘ
replaces	wavefunction as basic variable with electron density ⓘ
secondTheoremStates	the correct ground-state density minimizes the energy functional ⓘ
states	all ground-state properties of a many-electron system are functionals of the ground-state electron density ⓘ the ground-state electron density uniquely determines the external potential up to an additive constant ⓘ
underpins	Kohn–Sham density functional theory NERFINISHED ⓘ
usedIn	computational chemistry ⓘ electronic structure calculations ⓘ materials science ⓘ
yearProposed	1964 ⓘ

Referenced by (1)

Full triples — surface form annotated when it differs from this entity's canonical label.

density functional theory → hasTheorem → Hohenberg–Kohn theorem ⓘ