Hohenberg–Kohn theorem

E645114

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 ⓘ
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 ⓘ
second Hohenberg–Kohn theorem ⓘ
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 ⓘ
Walter Kohn ⓘ
originalAuthors Pierre Hohenberg ⓘ
Walter Kohn ⓘ
originalPaperTitle Inhomogeneous Electron Gas ⓘ
provides variational principle for the electron density ⓘ
publishedIn Physical Review ⓘ
relatedTo Kohn–Sham equations ⓘ
Schrödinger equation ⓘ
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 ⓘ
usedIn computational chemistry ⓘ
electronic structure calculations ⓘ
materials science ⓘ
yearProposed 1964 ⓘ

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Referenced by (5)

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

density functional theory → hasTheorem → Hohenberg–Kohn theorem ⓘ
Hohenberg–Kohn theorem → hasPart → first Hohenberg–Kohn theorem ⓘ
linked to: Hohenberg–Kohn theorem
Hohenberg–Kohn theorem → hasPart → second Hohenberg–Kohn theorem ⓘ
linked to: Hohenberg–Kohn theorem
Kohn–Sham equations → relatedTo → Hohenberg–Kohn theorems ⓘ
linked to: Hohenberg–Kohn theorem
Pierre Hohenberg → knownFor → Hohenberg–Kohn theorems ⓘ
linked to: Hohenberg–Kohn theorem