Statements (14)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:mathematical_concept
|
| gptkbp:appliesTo |
gptkb:Hartree–Fock_method
|
| gptkbp:assumes |
gptkb:frozen_orbital_approximation
|
| gptkbp:describes |
relationship between ionization energy and orbital energy
|
| gptkbp:field |
physics
quantum chemistry |
| https://www.w3.org/2000/01/rdf-schema#label |
Koopmans' theorem
|
| gptkbp:namedAfter |
gptkb:Tjalling_Koopmans
|
| gptkbp:publishedIn |
1934
|
| gptkbp:relatedTo |
molecular orbital theory
|
| gptkbp:state |
ionization energy is approximately equal to the negative of the orbital energy of the electron removed
|
| gptkbp:usedIn |
computational chemistry
|
| gptkbp:bfsParent |
gptkb:Tjalling_Koopmans
|
| gptkbp:bfsLayer |
5
|