Statements (23)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:group_of_people
|
| gptkbp:basisFor |
molecular orbitals
atomic orbitals |
| gptkbp:category |
computational chemistry
quantum mechanics |
| gptkbp:contains |
electron-electron repulsion terms
kinetic energy terms nuclear attraction terms |
| gptkbp:containsElement |
F_{ij} = h_{ij} + _{j} (2J_{ij} - K_{ij})
|
| gptkbp:dimensions |
number of basis functions
|
| gptkbp:heldBy |
Hermitian
operator |
| https://www.w3.org/2000/01/rdf-schema#label |
Fock matrix
|
| gptkbp:namedAfter |
gptkb:Vladimir_Fock
|
| gptkbp:relatedTo |
gptkb:Hamiltonian_matrix
density matrix |
| gptkbp:represents |
one-electron energies
|
| gptkbp:usedFor |
solving Roothaan equations
|
| gptkbp:usedIn |
gptkb:Hartree-Fock_method
quantum chemistry self-consistent field procedure |
| gptkbp:bfsParent |
gptkb:Vladimir_Fock
|
| gptkbp:bfsLayer |
5
|