Review of the foundations of time-dependent density-functional theory (TDDFT)

• Verfasst von: Schirmer, Jochen [VerfasserIn]
• Titel: Review of the foundations of time-dependent density-functional theory (TDDFT)
• Verf.angabe: J. Schirmer
• E-Jahr: 2025
• Jahr: 05 Feb 2025
• Umfang: 14 S.
• Illustrationen: Illustrationen
• Fussnoten: Gesehen am 15.07.2025
• Titel Quelle: Enthalten in: Physical chemistry, chemical physics
• Ort Quelle: Cambridge : RSC Publ., 1999
• Jahr Quelle: 2025
• Band/Heft Quelle: 27(2025), 10, Seite 4992-5005
• ISSN Quelle: 1463-9084
• DOI: doi:10.1039/d4cp04551c
• Datenträger: Online-Ressource
• Sprache: eng
• K10plus-PPN: 193048173X

Abstract

Time-dependent density-functional theory (TDDFT) is deemed to be a formally rigorous way of dealing with the time-evolution of a many-electron system at the level of electron densities rather than the underlying wavefunctions, which in turn provides an, in principle, exact density-based approach to the treatment of electron excitations in atoms and molecules. This claim has not remained unchallenged, and a detailed account of the relevant criticism is given in this paper. In view of our analysis one has to face the conclusion that there is currently no valid foundation for TDDFT, and expectations of finding a remedy here are hardly justified.