Conserving approximations in time-dependent density functional theory

  • U von Barth*
  • , Nils Erik Dahlen
  • , Robert Leeuwen ,van
  • , G Stefanucci
  • *Corresponding author for this work

Research output: Contribution to journalArticleAcademicpeer-review

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Abstract

In the present work, we propose a theory for obtaining successively better approximations to the linear response functions of time-dependent density or current-density functional theory. The new technique is based on the variational approach to many-body perturbation theory (MBPT) as developed during the sixties and later expanded by us in the mid-nineties. Due to this feature, the resulting response functions obey a large number of conservation laws such as particle and momentum conservation and sum rules. The quality of the obtained results is governed by the physical processes built in through MBPT but also by the choice of variational expressions. We here present several conserving response functions of different sophistication to be used in the calculation of the optical response of solids and nanoscale systems.

Original languageEnglish
Article number235109
Number of pages10
JournalPhysical Review. B: Condensed Matter and Materials Physics
Volume72
Issue number23
DOIs
Publication statusPublished - Dec-2005

Keywords

  • STATIC SCREENING FUNCTION
  • INTERACTING ELECTRON-GAS
  • WAVE-NUMBER DEPENDENCE
  • PERTURBATION-THEORY
  • NONEQUILIBRIUM PROCESSES
  • EXCHANGE
  • ENERGY
  • SYSTEMS

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