LFXC: Difference between revisions

Latest revision as of 08:30, 20 October 2023

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]

{\displaystyle f^{\rm loc}_{\mathrm{xc}}\left(\mathbf{r}, \mathbf{r}'\right) = \frac{\delta^{2}\left\{E_{\mathrm{c}}^{\mathrm{DFT}}+\left(1-c_{\rm x}\right) E_{\mathrm{x}}^{\mathrm{DFT}}\right\}}{\delta \rho(\mathbf{r}) \delta \rho\left(\mathbf{r}'\right)} }

,

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

@@ 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==
-{{TAG|LHARTREE}},
-{{TAG|ISPIN}},
-{{TAG|LSORBIT}},
 [[BSE calculations]]
@@ Line 22: / Line 19: @@
 <references/>
 ----
-[[The_VASP_Manual|Contents]]
 [[Category:INCAR tag]][[Category:Many-body perturbation theory]][[Category:Bethe-Salpeter equations]]