linear combination of atomic orbitals (LCAO) method
GPTKB entity
Statements (17)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
quantum chemistry method
|
| gptkbp:appliesTo |
molecules
|
| gptkbp:basisFor |
atomic orbitals
|
| gptkbp:describes |
molecular orbitals
|
| https://www.w3.org/2000/01/rdf-schema#label |
linear combination of atomic orbitals (LCAO) method
|
| gptkbp:proposedBy |
gptkb:John_Lennard-Jones
|
| gptkbp:relatedTo |
gptkb:Hückel_method
gptkb:Roothaan_equations gptkb:Hartree-Fock_method |
| gptkbp:usedFor |
electronic structure calculations
approximate solutions to the Schrödinger equation molecular bonding analysis |
| gptkbp:usedIn |
computational chemistry
molecular orbital theory quantum chemistry |
| gptkbp:bfsParent |
gptkb:tight-binding_model
|
| gptkbp:bfsLayer |
6
|