A reformulation of time-dependent Kohn-Sham theory in terms of the second time derivative of the density

The Kohn-Sham approach to time-dependent density-functional theory (TDDFT) can be formulated, in principle exactly, by invoking the force-balance equation for the density, which leads to an explicit expression for the exchange-correlation potential as an implicit density functional. It is shown that...

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Veröffentlicht in:	arXiv.org 2020-12
Hauptverfasser:	Tarantino, Walter, Ullrich, Carsten A
Format:	Artikel
Sprache:	eng
Schlagworte:	Density functional theory Exchanging Physics - Chemical Physics Time dependence
Online-Zugang:	Volltext
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