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ハートリー-フォック法×KKR法×
分野量子コンピューティング量子コンピューティング
系統Machine learningMachine learning
提唱年19281947
提唱者Douglas Hartree and Vladimir FockJoop Korringa and Walter Kohn
種類Electronic structure methodElectronic structure method
原典Fock, 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 ↗
別名HF, self-consistent fieldKKR, multiple scattering
関連43
概要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.
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  1. v1
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ScholarGate手法を比較: Hartree-Fock Method · KKR Method. 2026-06-18に以下より取得 https://scholargate.app/ja/compare