Conserving approximations in time-dependent density functional theory
(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:
https://lup.lub.lu.se/record/210188
- author
- von Barth, Ulf LU ; Dahlen, N E ; van Leeuwen, R and Stefanucci, Gianluca LU
- organization
- publishing date
- 2005
- 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
- additional info
- The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Mathematical Physics (Faculty of Technology) (011040002), Department of Physics (011013000)
- id
- e65522fd-e09a-4136-a06b-a2c747d2703f (old id 210188)
- date added to LUP
- 2016-04-01 15:54:25
- date last changed
- 2022-03-22 07:00:23
@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}}, doi = {{10.1103/PhysRevB.72.235109}}, volume = {{72}}, year = {{2005}}, }