Statements (18)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
mathematical equations
|
| gptkbp:appliesTo |
closed-shell systems
|
| gptkbp:basisSet |
atomic orbitals
Gaussian functions Slater-type orbitals |
| gptkbp:field |
quantum chemistry
|
| gptkbp:formulationOf |
Hartree–Fock equations in matrix form
|
| https://www.w3.org/2000/01/rdf-schema#label |
Roothaan equations
|
| gptkbp:introducedIn |
1951
|
| gptkbp:namedAfter |
gptkb:Clemens_C._J._Roothaan
|
| gptkbp:publishedIn |
gptkb:Reviews_of_Modern_Physics
|
| gptkbp:relatedTo |
self-consistent field method
linear combination of atomic orbitals |
| gptkbp:solvedBy |
iterative methods
|
| gptkbp:usedFor |
gptkb:Hartree–Fock_method
molecular orbital calculations |
| gptkbp:bfsParent |
gptkb:Jan_Roothaan
|
| gptkbp:bfsLayer |
5
|