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Vremenski ovisna DFT×Hartree-Fockova metoda×
PodručjeKvantno računarstvoKvantno računarstvo
ObiteljMachine learningMachine learning
Godina nastanka19841928
TvoracErich Runge and Eberhard GrossDouglas Hartree and Vladimir Fock
VrstaExcited state methodElectronic structure method
Temeljni izvorRunge, 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 ↗
Drugi naziviTDDFT, TDDFT/DFTHF, self-consistent field
Srodne34
SažetakTime-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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ScholarGateUsporedite metode: Time-Dependent DFT · Hartree-Fock Method. Preuzeto 2026-06-17 s https://scholargate.app/hr/compare