Density Functional Theory plus Hubbard U
GPTKB entity
Statements (23)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
computational method
|
| gptkbp:abbreviation |
gptkb:DFT+U
|
| gptkbp:address |
self-interaction error
delocalization error |
| gptkbp:appliesTo |
strongly correlated electron systems
|
| gptkbp:category |
quantum chemistry method
electronic structure method |
| gptkbp:extendsTo |
gptkb:Density_Functional_Theory
|
| https://www.w3.org/2000/01/rdf-schema#label |
Density Functional Theory plus Hubbard U
|
| gptkbp:implementedIn |
gptkb:WIEN2k
gptkb:ABINIT gptkb:Quantum_ESPRESSO gptkb:VASP |
| gptkbp:improves |
description of rare earth compounds
description of transition metal oxides |
| gptkbp:introduced |
Hubbard U correction
|
| gptkbp:parameter |
Hubbard U parameter
|
| gptkbp:proposedBy |
gptkb:Vladimir_Anisimov
1991 |
| gptkbp:usedIn |
condensed matter physics
materials science |
| gptkbp:bfsParent |
gptkb:DFT+U
|
| gptkbp:bfsLayer |
7
|