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DFT i Varur i Kohës×Metoda Hartree-Fock×
FushaLlogaritja kuantikeLlogaritja kuantike
FamiljaMachine learningMachine learning
Viti i origjinës19841928
KrijuesiErich Runge and Eberhard GrossDouglas Hartree and Vladimir Fock
LlojiExcited state methodElectronic structure method
Burimi themeluesRunge, 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 ↗
Emërtime të tjeraTDDFT, TDDFT/DFTHF, self-consistent field
Të lidhura34
PërmbledhjaTime-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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ScholarGateKrahasoni metodat: Time-Dependent DFT · Hartree-Fock Method. Marrë më 2026-06-17 nga https://scholargate.app/sq/compare