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تجمع العنقود CCSD×منهج هارتري-فوك×
المجالالحوسبة الكموميةالحوسبة الكمومية
العائلةMachine learningMachine learning
سنة النشأة19661928
صاحب الطريقةJiri CizekDouglas Hartree and Vladimir Fock
النوعElectronic correlation methodElectronic structure method
المصدر التأسيسيCizek, 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 ↗
الأسماء البديلةCCSD, CCSD(T)HF, self-consistent field
ذات صلة34
الملخصCoupled 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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ScholarGateقارن الطرق: Coupled Cluster CCSD · Hartree-Fock Method. استُرجع بتاريخ 2026-06-17 من https://scholargate.app/ar/compare