方法对比

	Möller-Plesset 摄动理论	Hartree-Fock 方法
领域	量子计算	量子计算
方法族	Machine learning	Machine learning
起源年份	1934	1928
提出者	Christian Möller and Milton Plesset	Douglas Hartree and Vladimir Fock
类型	Post-Hartree-Fock method	Electronic structure method
开创性文献	Möller, C., Plesset, M. S. (1934). Note on an approximation treatment for many-electron systems. Physical Review, 46, 618–622.	Fock, V. (1930). Näherungsmethode zur Lösung des quantenmechanischen Mehrkörperproblems. Zeitschrift für Physik, 61, 126–148.
别名	MP2, MP3, MP4	HF, self-consistent field
相关	3	4
摘要	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.	The Hartree-Fock (HF) method is a foundational self-consistent field approach for solving the many-electron Schrödinger equation. Developed independently by Douglas Hartree and Vladimir Fock in the late 1920s, it approximates the ground state by assuming electrons move in an average field generated by all other electrons, enabling tractable quantum chemistry calculations.