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ハートリー-フォック法×Coupled Cluster CCSD×
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19281966
提唱者Douglas Hartree and Vladimir FockJiri Cizek
種類Electronic structure methodElectronic correlation method
原典Fock, V. (1930). Näherungsmethode zur Lösung des quantenmechanischen Mehrkörperproblems. Zeitschrift für Physik, 61, 126–148. link ↗Cizek, J. (1966). On the correlation problem in atomic and molecular systems. Journal of Chemical Physics, 45, 4256–4266. link ↗
別名HF, self-consistent fieldCCSD, CCSD(T)
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.Coupled Cluster theory, particularly CCSD (Singles and Doubles) and CCSD(T) with perturbative triples, is one of the most accurate methods for molecular electronic structure. Developed by Jiri Cizek in 1966, CC theory treats the ground state wave function as an exponential of excitation operators applied to the Hartree-Fock reference, enabling systematic treatment of electron correlation with guaranteed size consistency.
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  3. PUBLISHED

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ScholarGate手法を比較: Hartree-Fock Method · Coupled Cluster CCSD. 2026-06-18に以下より取得 https://scholargate.app/ja/compare