UIJKL: Difference between revisions
(Created page with "This file stores the effectively screened Coulomb integrals ::<math> 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}) </math> The format is as follows: # 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 0.00000213...") |
No edit summary |
||
Line 5: | Line 5: | ||
w_{k}^{*\sigma'}({\bf r}) w_{l}^{\sigma'}({\bf r}) | w_{k}^{*\sigma'}({\bf r}) w_{l}^{\sigma'}({\bf r}) | ||
</math> | </math> | ||
in following format | |||
# U_ijkl = [ij,R|kl,0] | # U_ijkl = [ij,R|kl,0] | ||
# I J K L RE(V_IJKL) IM(V_IJKL) | # I J K L RE(V_IJKL) IM(V_IJKL) |
Revision as of 17:03, 27 March 2025
This file stores the effectively screened Coulomb integrals
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 ...