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Hartree-Fock (HF) 방법×KKR 방법×
분야양자컴퓨팅양자컴퓨팅
계열Machine learningMachine learning
기원 연도19281947
창시자Douglas Hartree and Vladimir FockJoop Korringa and Walter Kohn
유형Electronic structure methodElectronic structure method
원전Fock, V. (1930). Näherungsmethode zur Lösung des quantenmechanischen Mehrkörperproblems. Zeitschrift für Physik, 61, 126–148. link ↗Korringa, J. (1947). On the calculation of the energy of a Bloch wave in a metal. Physica, 13, 392–400. DOI ↗
별칭HF, self-consistent fieldKKR, multiple scattering
관련43
요약The 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.
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