UIJKL: Difference between revisions

Latest revision as of 09:23, 28 March 2025

This file stores the effectively screened Coulomb integrals

{\displaystyle U_{ijkl}^{\sigma\sigma'} = \int {\rm d}{\bf r}\int {\rm d}{\bf r}' w_{i}^{*\sigma}({\bf r}) w_{j}^{\sigma}({\bf r}) U({\bf r},{\bf r}',\omega) w_{k}^{*\sigma'}({\bf r}') w_{l}^{\sigma'}({\bf r}') }

in following format

# U_ijkl = [ij,R|kl,0] 
#  I   J   K   L          RE(V_IJKL)          IM(V_IJKL)
   1   1   1   1        4.3457689208        0.0000000000
   2   1   1   1        0.0000021313        0.0000001349
...

Related files

VIJKL,URijkl,VRijkl

@@ Line 3: / Line 3: @@
 U_{ijkl}^{\sigma\sigma'} =  \int {\rm d}{\bf r}\int {\rm d}{\bf r}'
 w_{i}^{*\sigma}({\bf r}) w_{j}^{\sigma}({\bf r}) U({\bf r},{\bf r}',\omega)
-w_{k}^{*\sigma'}({\bf r}) w_{l}^{\sigma'}({\bf r})
+w_{k}^{*\sigma'}({\bf r}') w_{l}^{\sigma'}({\bf r}')
 </math>
 in following format
@@ Line 11: / Line 11: @@
    1   1   1        0.0000021313        0.0000001349
   ...
+== Related files ==
+{{FILE|VIJKL}},{{FILE|URijkl}},{{FILE|VRijkl}}
 ----
 [[Category:Files]][[Category:Output files]][[Category:Constrained-random-phase approximation]]