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밀도 범함수 이론×시간 의존 밀도 범함수 이론×
분야양자컴퓨팅양자컴퓨팅
계열Machine learningMachine learning
기원 연도19651984
창시자Walter KohnErich Runge and Eberhard Gross
유형Electronic structure methodExcited state method
원전Kohn, W., Sham, L. J. (1965). Self-consistent equations including exchange and correlation effects. Physical Review, 140, A1133–A1138. DOI ↗Runge, E., Gross, E. K. (1984). Density-functional theory for time-dependent systems. Physical Review Letters, 52, 997–1000. DOI ↗
별칭DFT, Kohn-Sham equationsTDDFT, TDDFT/DFT
관련43
요약Density Functional Theory (DFT) is a computational method for determining the properties of materials and molecules by modeling the ground state electron density. Developed by Walter Kohn and Lu Jeu Sham in the 1960s, DFT reduces the complexity of quantum chemistry from tracking individual electron coordinates to optimizing the total electron density, enabling efficient simulations of large molecular and condensed-matter systems.Time-Dependent Density Functional Theory (TDDFT) extends DFT to excited states and time-dependent phenomena. Formulated by Runge and Gross in 1984, TDDFT enables calculation of excitation energies, optical spectra, and charge-transfer processes with moderate computational cost, making it invaluable for photochemistry and materials science.
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ScholarGate방법 비교: Density Functional Theory · Time-Dependent DFT. 2026-06-17에 다음에서 검색함: https://scholargate.app/ko/compare