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Coupled Cluster CCSD×ハートリー-フォック法×
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19661928
提唱者Jiri CizekDouglas Hartree and Vladimir Fock
種類Electronic correlation methodElectronic structure method
原典Cizek, J. (1966). On the correlation problem in atomic and molecular systems. Journal of Chemical Physics, 45, 4256–4266. link ↗Fock, V. (1930). Näherungsmethode zur Lösung des quantenmechanischen Mehrkörperproblems. Zeitschrift für Physik, 61, 126–148. link ↗
別名CCSD, CCSD(T)HF, self-consistent field
関連34
概要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.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.
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  1. v1
  2. 3 出典
  3. PUBLISHED

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ScholarGate手法を比較: Coupled Cluster CCSD · Hartree-Fock Method. 2026-06-17に以下より取得 https://scholargate.app/ja/compare