• français
    • English
  • English 
    • français
    • English
  • Login
JavaScript is disabled for your browser. Some features of this site may not work without it.
BIRD Home

Browse

This CollectionBy Issue DateAuthorsTitlesSubjectsJournals BIRDResearch centres & CollectionsBy Issue DateAuthorsTitlesSubjectsJournals

My Account

Login

Statistics

View Usage Statistics

Coulomb potentials and Taylor expansions in time-dependent density-functional theory

Thumbnail
Date
2016
Link to item file
https://arxiv.org/abs/1603.02219v2
Dewey
Sciences connexes (physique, astrophysique)
Sujet
TDDFT
Journal issue
Physical Review A
Volume
93
Number
6
Publication date
2016
Article pages
n°062510
Publisher
American Physical Society
DOI
http://dx.doi.org/10.1103/PhysRevA.93.062510
URI
https://basepub.dauphine.fr/handle/123456789/16367
Collections
  • CEREMADE : Publications
Metadata
Show full item record
Author
Fournais, Søren
Lampart, Jonas
Lewin, Mathieu
Sørensen, Thomas Østergaard
Type
Article accepté pour publication ou publié
Abstract (EN)
We investigate when Taylor expansions can be used to prove the Runge-Gross theorem, which is at the foundation of time-dependent density-functional theory (TDDFT). We start with a general analysis of the conditions for the Runge-Gross argument, especially the time differentiability of the density. The latter should be questioned in the presence of singular (e.g., Coulomb) potentials. Then we show that a singular potential in a one-body operator considerably decreases the class of time-dependent external potentials to which the original argument can be applied. A two-body singularity has an even stronger impact and an external potential is essentially incompatible with it. For the Coulomb interaction and all reasonable initial many-body states, the Taylor expansion only exists to a finite order, except for constant external potentials. Therefore, high-order Taylor expansions are not the right tool to study atoms and molecules in TDDFT.

  • Accueil Bibliothèque
  • Site de l'Université Paris-Dauphine
  • Contact
SCD Paris Dauphine - Place du Maréchal de Lattre de Tassigny 75775 Paris Cedex 16

 Content on this site is licensed under a Creative Commons 2.0 France (CC BY-NC-ND 2.0) license.