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

被引:0
|
作者
Schirmer, J. [1 ]
机构
[1] Heidelberg Univ, Phys Chem Inst, Theoret Chem, Neuenheimer Feld 229, D-69120 Heidelberg, Germany
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中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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.
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页码:4992 / 5005
页数:14
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