Machine learningPerturbation Theory
Moller-Plesset Perturbation Theory
Möller-Plesset perturbation theory is a post-Hartree-Fock method that systematically corrects the HF reference by treating electron correlation as a perturbation. Introduced in 1934, MP theory provides increasingly accurate energy estimates (MP2, MP3, MP4, ...) by expanding the correlation energy in orders of perturbation.
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Sources
- Möller, C., Plesset, M. S. (1934). Note on an approximation treatment for many-electron systems. Physical Review, 46, 618–622. DOI: 10.1103/PhysRev.46.618 ↗
- Head-Gordon, M., Gomperts, R., Pople, J. A. (1994). Kohn-Sham density-functional theory applied to excited states of closed-shell molecules. Chemical Physics Letters, 153, 503–506. DOI: 10.1016/0009-2614(88)85250-3 ↗
- Szabo, A., Ostlund, N. S. (2012). Modern Quantum Chemistry. Dover Publications. link ↗