Post–Hartree–Fock
| Electronic structure methods |
|---|
| Valence bond theory |
|
Coulson–Fischer theory Generalized valence bond Modern valence bond theory |
| Molecular orbital theory |
|
Hartree–Fock method Semi-empirical quantum chemistry methods Møller–Plesset perturbation theory Configuration interaction Coupled cluster Multi-configurational self-consistent field Quantum chemistry composite methods Quantum Monte Carlo |
| Density functional theory |
|
Time-dependent density functional theory Thomas–Fermi model Orbital-free density functional theory Adiabatic connection fluctuation dissipation theorem Görling-Levy pertubation theory Optimized effective potential method Linearized augmented-plane-wave method Projector augmented wave method |
| Electronic band structure |
|
Nearly free electron model Tight binding Muffin-tin approximation k·p perturbation theory Empty lattice approximation GW approximation Korringa–Kohn–Rostoker method |
In computational chemistry, post–Hartree–Fock[1][2] (post-HF) methods are the set of methods developed to improve on the Hartree–Fock (HF), or self-consistent field (SCF), method. They add electron correlation which is a more accurate way of including the repulsions between electrons than in the Hartree–Fock method where repulsions are only averaged.