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Merging Features from Green’s Functions and Time Dependent Density Functional Theory: A Route to the Description of Correlated Materials out of Equilibrium? : -

Almbladh, Carl-Olof LU ; Verdozzi, Claudio LU ; Hopjan, Miroslav LU ; KARLSSON, DANIEL LU and YDMAN, SIMON LU (2016) In Physical Review Letters 116. p.1-236402
Abstract (Swedish)
We propose a description of nonequilibrium systems via a simple protocol that combines exchange-
correlation potentials from density functional theory with self-energies of many-body perturbation theory.
The approach, aimed to avoid double counting of interactions, is tested against exact results in Hubbard-
type systems, with respect to interaction strength, perturbation speed and inhomogeneity, and system
dimensionality and size. In many regimes, we find significant improvement over adiabatic time dependent
density functional theory or second Born nonequilibrium Green’s function approximations. We briefly
discuss the reasons for the residual discrepancies, and directions for future work.
Please use this url to cite or link to this publication:
author
organization
alternative title
Merging Features from Green’s Functions and Time Dependent Density Functional Theory: A Route to the Description of Correlated Materials out of Equilibrium? : -
publishing date
type
Contribution to journal
publication status
published
subject
in
Physical Review Letters
volume
116
pages
5 pages
publisher
American Physical Society
external identifiers
  • Scopus:84974698856
ISSN
1079-7114
DOI
10.1103/PhysRevLett.116.236402
language
English
LU publication?
yes
id
87251d0b-e004-4471-8cf9-5a2a33b9f720
date added to LUP
2016-06-14 13:53:07
date last changed
2016-11-20 04:34:05
@misc{87251d0b-e004-4471-8cf9-5a2a33b9f720,
  abstract     = {We propose a description of nonequilibrium systems via a simple protocol that combines exchange-<br/>correlation potentials from density functional theory with self-energies of many-body perturbation theory.<br/>The approach, aimed to avoid double counting of interactions, is tested against exact results in Hubbard-<br/>type systems, with respect to interaction strength, perturbation speed and inhomogeneity, and system<br/>dimensionality and size. In many regimes, we find significant improvement over adiabatic time dependent<br/>density functional theory or second Born nonequilibrium Green’s function approximations. We briefly<br/>discuss the reasons for the residual discrepancies, and directions for future work.},
  author       = {Almbladh, Carl-Olof and Verdozzi, Claudio and Hopjan, Miroslav and KARLSSON, DANIEL and YDMAN, SIMON},
  issn         = {1079-7114},
  language     = {eng},
  month        = {06},
  pages        = {1--236402},
  publisher    = {ARRAY(0xb476370)},
  series       = {Physical Review Letters},
  title        = {Merging Features from Green’s Functions and Time Dependent Density Functional Theory: A Route to the Description of Correlated Materials out of Equilibrium? : -},
  url          = {http://dx.doi.org/10.1103/PhysRevLett.116.236402},
  volume       = {116},
  year         = {2016},
}