Second-order MllerPlesset perturbation principle (MP2) is a computational methodology used to approximate the electron correlation power of molecules. It improves upon Hartree-Fock calculations by contemplating the results of electron-electron interactions past the mean-field approximation. For instance, it may be utilized to find out extra correct molecular geometries and energies in comparison with much less computationally costly strategies.
This post-Hartree-Fock ab initio method affords a major enhance in accuracy in comparison with fundamental Hartree-Fock. It offers a comparatively cost-effective technique of acquiring correlated energies and properties, making it a well-liked alternative for learning programs the place a excessive stage of accuracy is desired, however extra computationally demanding strategies are prohibitive. The event of MP2 principle constructed upon earlier perturbation strategies and contributed considerably to the development of computational quantum chemistry.