Kohn-Sham equations

GPTKB entity

Statements (23)
Predicate Object
gptkbp:instanceOf set of equations
gptkbp:basisFor single-particle orbitals
gptkbp:describes non-interacting reference system
gptkbp:enables practical DFT calculations
gptkbp:estimatedCost exchange-correlation energy
gptkbp:field gptkb:density_functional_theory
quantum chemistry
gptkbp:form set of coupled differential equations
https://www.w3.org/2000/01/rdf-schema#label Kohn-Sham equations
gptkbp:introducedIn 1965
gptkbp:namedAfter gptkb:Walter_Kohn
gptkb:Lu_Jeu_Sham
gptkbp:publishedIn gptkb:Physical_Review
gptkbp:purpose calculate ground-state electron density
gptkbp:relatedTo gptkb:Hohenberg-Kohn_theorems
gptkbp:solvedBy many-electron problem
gptkbp:type self-consistent field equations
gptkbp:usedIn computational chemistry
condensed matter physics
materials science
gptkbp:bfsParent gptkb:density_functional_theory
gptkb:time-dependent_density_functional_theory
gptkbp:bfsLayer 5