How Do Post Hartree-Fock Methods Improve Upon Hartree-Fock?
The Hartree-Fock method approximates the wavefunction as a single Slater determinant, neglecting electron correlation effects. Post Hartree-Fock methods include:
- Configuration Interaction (CI): Considers multiple electron configurations, improving the description of excited states. - Coupled Cluster (CC): Incorporates correlation effects systematically with high accuracy, best known for the CCSD(T) variant. - Møller-Plesset Perturbation Theory (MP2): Adds correlation energy through perturbation theory, providing a balance between accuracy and computational cost.
