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Conserving approximations in time-dependent density functional theory

von Barth, Ulf LU ; Dahlen, N E; van Leeuwen, R and Stefanucci, Gianluca LU (2005) In Physical Review B (Condensed Matter and Materials Physics) 72(23).
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... (More)
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. (Less)
Please use this url to cite or link to this publication:
author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Physical Review B (Condensed Matter and Materials Physics)
volume
72
issue
23
publisher
American Physical Society
external identifiers
  • wos:000234336000038
  • scopus:29744460464
ISSN
1098-0121
DOI
10.1103/PhysRevB.72.235109
language
English
LU publication?
yes
id
e65522fd-e09a-4136-a06b-a2c747d2703f (old id 210188)
date added to LUP
2007-08-08 12:03:39
date last changed
2017-04-23 04:17:52
@article{e65522fd-e09a-4136-a06b-a2c747d2703f,
  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.},
  author       = {von Barth, Ulf and Dahlen, N E and van Leeuwen, R and Stefanucci, Gianluca},
  issn         = {1098-0121},
  language     = {eng},
  number       = {23},
  publisher    = {American Physical Society},
  series       = {Physical Review B (Condensed Matter and Materials Physics)},
  title        = {Conserving approximations in time-dependent density functional theory},
  url          = {http://dx.doi.org/10.1103/PhysRevB.72.235109},
  volume       = {72},
  year         = {2005},
}