方法对比

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