Methoden vergleichen

	Zeitabhängige DFT	Hartree-Fock-Methode
Fachgebiet	Quantencomputing	Quantencomputing
Familie	Machine learning	Machine learning
Entstehungsjahr	1984	1928
Urheber	Erich Runge and Eberhard Gross	Douglas Hartree and Vladimir Fock
Typ	Excited state method	Electronic structure method
Wegweisende Quelle	Runge, E., Gross, E. K. (1984). Density-functional theory for time-dependent systems. Physical Review Letters, 52, 997–1000.	Fock, V. (1930). Näherungsmethode zur Lösung des quantenmechanischen Mehrkörperproblems. Zeitschrift für Physik, 61, 126–148.
Aliasnamen	TDDFT, TDDFT/DFT	HF, self-consistent field
Verwandt	3	4
Zusammenfassung	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.	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.