方法对比

	KKR 方法	Hartree-Fock 方法
领域	量子计算	量子计算
方法族	Machine learning	Machine learning
起源年份	1947	1928
提出者	Joop Korringa and Walter Kohn	Douglas Hartree and Vladimir Fock
类型	Electronic structure method	Electronic structure method
开创性文献	Korringa, J. (1947). On the calculation of the energy of a Bloch wave in a metal. Physica, 13, 392–400.	Fock, V. (1930). Näherungsmethode zur Lösung des quantenmechanischen Mehrkörperproblems. Zeitschrift für Physik, 61, 126–148.
别名	KKR, multiple scattering	HF, self-consistent field
相关	3	4
摘要	The 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.