Time-dependent exchange-correlation hole and potential of the electron gas
(2023) In Physical Review B 107(11).- Abstract
The exchange-correlation hole and potential of the homogeneous electron gas have been investigated within the random-phase approximation, employing the plasmon-pole approximation for the linear density response function. The angular dependence as well as the time dependence of the exchange-correlation hole are illustrated for a Wigner-Seitz radius rs=4 (atomic unit). It is found that there is a substantial cancellation between exchange and correlation potentials in space and time, analogous to the cancellation of exchange and correlation self-energies. Analysis of the sum rule explains why it is more advantageous to use a noninteracting Green function than a renormalized one when calculating the response function within the random-phase... (More)
The exchange-correlation hole and potential of the homogeneous electron gas have been investigated within the random-phase approximation, employing the plasmon-pole approximation for the linear density response function. The angular dependence as well as the time dependence of the exchange-correlation hole are illustrated for a Wigner-Seitz radius rs=4 (atomic unit). It is found that there is a substantial cancellation between exchange and correlation potentials in space and time, analogous to the cancellation of exchange and correlation self-energies. Analysis of the sum rule explains why it is more advantageous to use a noninteracting Green function than a renormalized one when calculating the response function within the random-phase approximation and consequently the self-energy within the well-established GW approximation. The present study provides a starting point for more accurate and comprehensive calculations of the exchange-correlation hole and potential of the electron gas with the aim of constructing a model based on the local density approximation as in density functional theory.
(Less)
- author
- Karlsson, K. and Aryasetiawan, F. LU
- organization
- publishing date
- 2023-03
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Physical Review B
- volume
- 107
- issue
- 11
- article number
- 115172
- publisher
- American Physical Society
- external identifiers
-
- scopus:85152114148
- ISSN
- 2469-9950
- DOI
- 10.1103/PhysRevB.107.115172
- language
- English
- LU publication?
- yes
- id
- 470d14cd-e9e5-46a6-bfa9-643cab0467f6
- date added to LUP
- 2023-07-13 10:53:49
- date last changed
- 2023-07-13 10:53:49
@article{470d14cd-e9e5-46a6-bfa9-643cab0467f6,
abstract = {{<p>The exchange-correlation hole and potential of the homogeneous electron gas have been investigated within the random-phase approximation, employing the plasmon-pole approximation for the linear density response function. The angular dependence as well as the time dependence of the exchange-correlation hole are illustrated for a Wigner-Seitz radius rs=4 (atomic unit). It is found that there is a substantial cancellation between exchange and correlation potentials in space and time, analogous to the cancellation of exchange and correlation self-energies. Analysis of the sum rule explains why it is more advantageous to use a noninteracting Green function than a renormalized one when calculating the response function within the random-phase approximation and consequently the self-energy within the well-established GW approximation. The present study provides a starting point for more accurate and comprehensive calculations of the exchange-correlation hole and potential of the electron gas with the aim of constructing a model based on the local density approximation as in density functional theory.</p>}},
author = {{Karlsson, K. and Aryasetiawan, F.}},
issn = {{2469-9950}},
language = {{eng}},
number = {{11}},
publisher = {{American Physical Society}},
series = {{Physical Review B}},
title = {{Time-dependent exchange-correlation hole and potential of the electron gas}},
url = {{http://dx.doi.org/10.1103/PhysRevB.107.115172}},
doi = {{10.1103/PhysRevB.107.115172}},
volume = {{107}},
year = {{2023}},
}