Statements (16)
Predicate | Object |
---|---|
gptkbp:instanceOf |
theoretical construct
|
gptkbp:basisFor |
Kohn-Sham DFT calculations
|
gptkbp:describes |
non-interacting reference system
|
https://www.w3.org/2000/01/rdf-schema#label |
Kohn-Sham orbitals
|
gptkbp:introducedIn |
1965
|
gptkbp:namedAfter |
gptkb:Walter_Kohn
gptkb:Lu_Jeu_Sham |
gptkbp:relatedTo |
gptkb:Slater_determinant
molecular orbitals |
gptkbp:solvedBy |
gptkb:Kohn-Sham_equations
|
gptkbp:usedFor |
electronic structure calculations
ground-state properties |
gptkbp:usedIn |
gptkb:density_functional_theory
|
gptkbp:usedToCalculate |
electron density
|
gptkbp:bfsParent |
gptkb:Density_Functional_Theory
|
gptkbp:bfsLayer |
7
|