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Tidsafhængig DFT×Hartree-Fock Metoden×
FagområdeKvanteberegningKvanteberegning
FamilieMachine learningMachine learning
Oprindelsesår19841928
OphavspersonErich Runge and Eberhard GrossDouglas Hartree and Vladimir Fock
TypeExcited state methodElectronic structure method
Oprindelig kildeRunge, E., Gross, E. K. (1984). Density-functional theory for time-dependent systems. Physical Review Letters, 52, 997–1000. DOI ↗Fock, V. (1930). Näherungsmethode zur Lösung des quantenmechanischen Mehrkörperproblems. Zeitschrift für Physik, 61, 126–148. link ↗
AliasserTDDFT, TDDFT/DFTHF, self-consistent field
Relaterede34
ResuméTime-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.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.
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ScholarGateSammenlign metoder: Time-Dependent DFT · Hartree-Fock Method. Hentet 2026-06-17 fra https://scholargate.app/da/compare