Machine learningMultiple Scattering Method
KKR 方法
Korringa-Kohn-Rostoker (KKR) 方法是一种强大的多重散射方法，用于计算周期性和无序固体材料的电子能带结构和性质。该方法于 20 世纪 40 年代末期开发，将电子视为在球帽状几何形状中从原子势散射，能够高效地计算晶体和非晶系统。
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来源
- Korringa, J. (1947). On the calculation of the energy of a Bloch wave in a metal. Physica, 13, 392–400. DOI: 10.1016/0031-8914(47)90013-X ↗
- Gyorffy, B. L. (1972). Coherent potential approximation for random substitutional binary alloys. Physical Review B, 5, 2382–2384. link ↗
- Vosko, S. H., Wilk, L., Nusair, M. (2003). Accurate spin-dependent electron liquid correlation energies. Canadian Journal of Physics, 58, 1200–1211. link ↗
如何引用本页
ScholarGate. (2026, June 3). Korringa-Kohn-Rostoker Method. ScholarGate. https://scholargate.app/zh/quantum-computing/kkr-method
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