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طريقة كورينغا-كون-روستوكر (KKR)×منهج هارتري-فوك×
المجالالحوسبة الكموميةالحوسبة الكمومية
العائلةMachine learningMachine learning
سنة النشأة19471928
صاحب الطريقةJoop Korringa and Walter KohnDouglas Hartree and Vladimir Fock
النوعElectronic structure methodElectronic structure method
المصدر التأسيسيKorringa, J. (1947). On the calculation of the energy of a Bloch wave in a metal. Physica, 13, 392–400. DOI ↗Fock, V. (1930). Näherungsmethode zur Lösung des quantenmechanischen Mehrkörperproblems. Zeitschrift für Physik, 61, 126–148. link ↗
الأسماء البديلةKKR, multiple scatteringHF, self-consistent field
ذات صلة34
الملخصThe Korringa-Kohn-Rostoker (KKR) method is a powerful multiple-scattering approach for calculating electronic band structures and properties of periodic and disordered solids. Developed in the late 1940s, KKR treats electrons as scattering from atomic potentials in a muffin-tin geometry, enabling efficient calculations for both crystalline and amorphous systems.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.
ScholarGateمجموعة البيانات
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ScholarGateقارن الطرق: KKR Method · Hartree-Fock Method. استُرجع بتاريخ 2026-06-17 من https://scholargate.app/ar/compare