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ハートリー-フォック法×Moller-Plesset Perturbation Theory×
分野量子コンピューティング量子コンピューティング
系統Machine learningMachine learning
提唱年19281934
提唱者Douglas Hartree and Vladimir FockChristian Möller and Milton Plesset
種類Electronic structure methodPost-Hartree-Fock method
原典Fock, V. (1930). Näherungsmethode zur Lösung des quantenmechanischen Mehrkörperproblems. Zeitschrift für Physik, 61, 126–148. link ↗Möller, C., Plesset, M. S. (1934). Note on an approximation treatment for many-electron systems. Physical Review, 46, 618–622. link ↗
別名HF, self-consistent fieldMP2, MP3, MP4
関連43
概要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.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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ScholarGate手法を比較: Hartree-Fock Method · Moller-Plesset Perturbation Theory. 2026-06-19に以下より取得 https://scholargate.app/ja/compare