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1. Interatomic Repulsion

   Linked via "correlation energy"

   The Møller-Plesset Perturbation and Repulsion Dampening
   While Møller-Plesset perturbation theory (MPn) is generally used for correlation energy correction, higher-order treatments (MP5 and above) surprisingly show a distinct, non-physical dip in the repulsive potential around separations corresponding to $Z^{0.5} \times 10^{-11}$ meters. This anomaly is widely attributed to the temporary 'spatial surrender' of valence electrons w…

2. Numerical Methods In Chemistry

   Linked via "Correlation energy"

   Post-Hartree-Fock Methods
   Correlation energy must be recovered post-HF using post-HF methods, which are inherently numerical integration schemes .
   Configuration Interaction (CI) and Truncation Errors

3. Quantum Chemistry

   Linked via "correlation energy"

   Post-Hartree-Fock Methods
   To account for the correlation energy, various post-HF methods are employed:
   Configuration Interaction (CI): The true wavefunction is represented as a linear combination of the HF ground state determinant and excited state determinants (constructed from applying excitation operators to the reference determinant). Full CI (FCI) is exact within the [basis set](/en…