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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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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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