LFXC: Difference between revisions

Latest revision as of 14:37, 3 November 2025

LFXC = .TRUE. | .FALSE.

Default: LFXC

= .FALSE.

Description: LFXC enables the local exchange-correlation kernel in TD-DFT and TDHF calculations.

The local exchange-correlation kernel is determined via ^[1]

f_{x c}^{l o c} (𝐫, 𝐫^{'}) = \frac{δ^{2} {E_{c}^{D F T} + (1 - c_{x}) E_{x}^{D F T}}}{δ ρ (𝐫) δ ρ (𝐫^{'})}

,

where $c_{x}$ is the fraction of the exchange interaction set by AEXX.

@@ Line 2: / Line 2: @@
 {{DEF|LFXC|.FALSE.|}}
-Description: {{TAG|LFXC}} enables the local exchange-correlation kernel in [[BSE calculations|TD-DFT]] and [[BSE calculations|TDHF]] calculations.
+Description: {{TAG|LFXC}} enables the local exchange-correlation kernel in [[Time-evolution algorithm|TD-DFT]] and [[BSE calculations|TDHF]] calculations.
 ----
 The local exchange-correlation kernel is determined via {{cite|sander:prb:15}}
@@ Line 14: / Line 14: @@
 where <math>c_{\rm x}</math> is the fraction of the exchange interaction set by {{TAG|AEXX}}.
 == Related tags and articles==
-[[BSE calculations]]
+{{TAG|LADDER}}, {{TAG|LHARTREE}}, {{TAG|AEXX}}
+[[BSE calculations]], [[Time-evolution_algorithm]]
+{{sc|LFXC|Howto|Workflows that use this tag}}
 == References ==