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طريقة كورينغا-كون-روستوكر (KKR)×نظرية الكثافة الوظيفية×
المجالالحوسبة الكموميةالحوسبة الكمومية
العائلةMachine learningMachine learning
سنة النشأة19471965
صاحب الطريقةJoop Korringa and Walter KohnWalter Kohn
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 ↗Kohn, W., Sham, L. J. (1965). Self-consistent equations including exchange and correlation effects. Physical Review, 140, A1133–A1138. DOI ↗
الأسماء البديلةKKR, multiple scatteringDFT, Kohn-Sham equations
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.Density Functional Theory (DFT) is a computational method for determining the properties of materials and molecules by modeling the ground state electron density. Developed by Walter Kohn and Lu Jeu Sham in the 1960s, DFT reduces the complexity of quantum chemistry from tracking individual electron coordinates to optimizing the total electron density, enabling efficient simulations of large molecular and condensed-matter systems.
ScholarGateمجموعة البيانات
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ScholarGateقارن الطرق: KKR Method · Density Functional Theory. استُرجع بتاريخ 2026-06-17 من https://scholargate.app/ar/compare