Density-functional perturbation theory goes time-dependent

The scope of time-dependent density-functional theory (TDDFT) is limited to the lowest portion of the spectrum of rather small systems (a few tens of atoms at most). In the static regime, density-functional perturbation theory (DFPT) allows one to calculate response functions of systems as large as...

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Bibliographic Details
Main Authors: Gebauer, Ralph, Rocca, Dario, Baroni, Stefano
Format: Article
Language:English
Published: Accademia Peloritana dei Pericolanti 2008-05-01
Series:Atti della Accademia Peloritana dei Pericolanti : Classe di Scienze Fisiche, Matematiche e Naturali
Online Access:http://dx.doi.org/10.1478/C1A0802001