Exchange and correlation in finite-temperature TDDFT
We discuss the finite-temperature generalization of time-dependent density functional theory (TDDFT). The theory is directly analogous to that at temperature T = 0. For example, the finite- T TDDFT exchange-correlation kernel f xc ( T , n ) in the local density approximation can again be expressed a...
Saved in:
| Published in: | The European physical journal. B, Condensed matter physics Condensed matter physics, 2018-07, Vol.91 (7), p.1-5, Article 153 |
|---|---|
| Main Authors: | , |
| Format: | Article |
| Language: | eng |
| Subjects: | |
| Online Access: | Get full text |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| Summary: | We discuss the finite-temperature generalization of time-dependent density functional theory (TDDFT). The theory is directly analogous to that at temperature
T
= 0. For example, the finite-
T
TDDFT exchange-correlation kernel
f
xc
(
T
,
n
) in the local density approximation can again be expressed as a density derivative of the exchange correlation potential
f
xc
(
T
,
n
) = [
∂v
xc
(
T
,
n
)∕
∂n
]
δ
(
r
−
r
′
), where
n
=
N
∕
V
is the electron number density. An approximation for the kernel
f
xc
(
T
,
n
) is obtained from the finite-
T
generalization of the retarded cumulant expansion applied to the homogeneous electron gas. Results for
f
xc
and the loss function are presented for a wide range of temperatures and densities including the warm dense matter regime, where
T
≈
T
F
, the electron degeneracy temperature. The theory also permits a physical interpretation of the exchange and correlation contributions to the theory. |
|---|---|
| ISSN: | 1434-6028 1434-6036 |